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Impurities and reference standards

Nitrosobiotin

Also known as 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-1-nitroso-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-, Biotin Impurity 15, 1'-Nitrosobiotin

CAS 56859-26-8Formula C10H15N3O4SMolar mass 273.31 g/molEC 977-268-9
GHS signal word: Warning. Pictograms: Harmful or irritant, Serious health hazard
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Nitrosobiotin chemical structure, C10H15N3O4S, CAS 56859-26-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
56859-26-8
Formula
C10H15N3O4S
Molar mass
273.31 g/mol
EC number
977-268-9
HS code
293499
Category
Impurities and reference standards

What is Nitrosobiotin?

Plain description, key identifiers and synonyms

Nitrosobiotin is a chemical substance with the molecular formula C10H15N3O4S and a molar mass of 273.31 g/mol. Its CAS registry number is 56859-26-8. The IUPAC name is 5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
CAS number
56859-26-8 CAS number cross-checked
EC number
977-268-9
Molecular formula
C10H15N3O4S
InChIKey
IFUXQNNMTPBRPW-ZKWXMUAHSA-N
InChI
InChI=1S/C10H15N3O4S/c14-8(15)4-2-1-3-7-9-6(5-18-7)13(12-17)10(16)11-9/h6-7,9H,1-5H2,(H,11,16)(H,14,15)/t6-,7-,9-/m0/s1
Canonical SMILES
O=NN1C(=O)NC2C(CCCCC(=O)O)SCC21
Isomeric SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2N=O

Synonyms

  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-1-nitroso-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-
  • Biotin Impurity 15
  • 1'-Nitrosobiotin
  • 5-[(3as,4s,6ar)-1-nitroso-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
  • 5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
  • 5-((3aS,4S,6aR)-1-nitroso-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
  • 5-((3aS,4S,6aR)-1-nitroso-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic Acid, Nitrosobiotin Impurity
  • 5-((3?S)-1-Nitroso-2-oxo-(3?r,6?c)-hexahydro-thieno[3,4-d]imidazol-4t-yl)-pentanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
273.31 g/molcalc.
Exact mass
273.0783 Dacalc.
LogP (octanol/water)
1.19calc.
Topological polar surface area
99.07 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NC2CSCC2N1

O=C1NC2CSCC2N1

2 rings, 9 atoms.

443 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H351Suspected of causing cancer.
Precautionary statements (18)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Nitrosobiotin suppliers

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Nitrosobiotin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nitrosobiotin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Nitrosobiotin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitrosobiotin, based on the data on this page

What is Nitrosobiotin?

Nitrosobiotin is a chemical substance with the molecular formula C10H15N3O4S and a molar mass of 273.31 g/mol. Its CAS registry number is 56859-26-8. The IUPAC name is 5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid.

What is the CAS number of Nitrosobiotin?

The CAS registry number of Nitrosobiotin is 56859-26-8.

What is the molecular formula and weight of Nitrosobiotin?

The molecular formula of Nitrosobiotin is C10H15N3O4S and its molar mass is 273.31 g/mol.

Is Nitrosobiotin hazardous?

Nitrosobiotin carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nitrosobiotin?

Nitrosobiotin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitrosobiotin?

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What is the price of Nitrosobiotin?

Suppliers quote Nitrosobiotin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Nitrosobiotin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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