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Amino acids and derivatives

2-Thiolhistidine

Also known as Histidine-2-thiol, Thiohistidine, dl-, 1H-Imidazole-4-propanoic acid, alpha-amino-2,3-dihydro-2-thioxo-

CAS 13552-61-9Formula C6H9N3O2SMolar mass 187.22 g/mol
1 supplier listed
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2-Thiolhistidine chemical structure, C6H9N3O2S, CAS 13552-61-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
13552-61-9
Formula
C6H9N3O2S
Molar mass
187.22 g/mol
HS code
293329
Category
Amino acids and derivatives

What is 2-Thiolhistidine?

Plain description, key identifiers and synonyms

2-Thiolhistidine is a chemical substance with the molecular formula C6H9N3O2S and a molar mass of 187.22 g/mol. Its CAS registry number is 13552-61-9. The IUPAC name is 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid
CAS number
13552-61-9 CAS number cross-checked
Molecular formula
C6H9N3O2S
UNII
80WXM66177
InChIKey
FVNKWWBXNSNIAR-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)
SMILES (canonical and isomeric)
C1=C(NC(=S)N1)CC(C(=O)O)N

Synonyms

  • Histidine-2-thiol
  • Thiohistidine, dl-
  • 1H-Imidazole-4-propanoic acid, alpha-amino-2,3-dihydro-2-thioxo-
  • 2-mercaptohistidine
  • Histidine, 2-mercapto-
  • 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid
  • 2-Amino-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)propanoic acid
  • DL-2-Histidinethiol
  • 2-Thiol-L-histidine
  • 2-Thiohistidin
  • DL-thiohistidine
  • 2-Sulfanylhistidine
  • 2-Thiolhistidine, dl-
  • 2-amino-3-(2-sulfanylimidazol-4-yl)propanoic acid
  • 2-amino-3-(2-sulfanyl-1H-imidazol-5-yl)propanoic 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
187.22 g/molcalc.
Exact mass
187.0415 Dacalc.
LogP (octanol/water)
0.03calc.
Topological polar surface area
94.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
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, S=c1[nH]cc[nH]1

S=c1[nH]cc[nH]1

1 ring, 6 atoms, the 2-Mercaptoimidazole ring system.

157 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

2-Thiolhistidine suppliers

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Where suppliers are based

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2-Thiolhistidine 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 2-Thiolhistidine is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 2-Thiolhistidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Thiolhistidine, based on the data on this page

What is 2-Thiolhistidine?

2-Thiolhistidine is a chemical substance with the molecular formula C6H9N3O2S and a molar mass of 187.22 g/mol. Its CAS registry number is 13552-61-9. The IUPAC name is 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid.

What is the CAS number of 2-Thiolhistidine?

The CAS registry number of 2-Thiolhistidine is 13552-61-9.

What is the molecular formula and weight of 2-Thiolhistidine?

The molecular formula of 2-Thiolhistidine is C6H9N3O2S and its molar mass is 187.22 g/mol.

Is 2-Thiolhistidine hazardous?

No GHS hazard classification for 2-Thiolhistidine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 2-Thiolhistidine?

2-Thiolhistidine is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-Thiolhistidine?

CompoundList lists 1 supplier of 2-Thiolhistidine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Thiolhistidine?

Suppliers quote 2-Thiolhistidine 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 2-Thiolhistidine

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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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