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Amines and amides

Iotasul

Also known as Iotasulum, ZK 79 112, 1,3-Benzenedicarboxamide, 5,5'-(thiobis((1-oxo-3,1-propanediyl)imino))bis(N,N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N-dimethyl-

CAS 71767-13-0Formula C38H50I6N6O14SMolar mass 1,608.34 g/molEC 275-996-5
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Iotasul chemical structure, C38H50I6N6O14S, CAS 71767-13-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71767-13-0
Formula
C38H50I6N6O14S
Molar mass
1,608.34 g/mol
EC number
275-996-5
HS code
293090
Category
Amines and amides

What is Iotasul?

Plain description, key identifiers and synonyms

Iotasul is a chemical substance with the molecular formula C38H50I6N6O14S and a molar mass of 1,608.34 g/mol. Its CAS registry number is 71767-13-0. The IUPAC name is 5-[3-[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodoanilino]-3-oxopropyl]sulfanylpropanoylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[3-[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodoanilino]-3-oxopropyl]sulfanylpropanoylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CAS number
71767-13-0
EC number
275-996-5
Molecular formula
C38H50I6N6O14S
UNII
5FM9UX1LJB
InChIKey
OQHLOKBHRXMXLD-UHFFFAOYSA-N
InChI
InChI=1S/C38H50I6N6O14S/c1-47(9-17(55)13-51)35(61)23-27(39)24(36(62)48(2)10-18(56)14-52)30(42)33(29(23)41)45-21(59)5-7-65-8-6-22(60)46-34-31(43)25(37(63)49(3)11-19(57)15-53)28(40)26(32(34)44)38(64)50(4)12-20(58)16-54/h17-20,51-58H,5-16H2,1-4H3,(H,45,59)(H,46,60)
SMILES (canonical and isomeric)
CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)CCSCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I)I)C(=O)N(C)CC(CO)O)I

Synonyms

  • Iotasulum
  • ZK 79 112
  • 1,3-Benzenedicarboxamide, 5,5'-(thiobis((1-oxo-3,1-propanediyl)imino))bis(N,N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N-dimethyl-
  • 1,3-Benzenedicarboxamide, 5,5'-(thiobis((1-oxo-3,1-propanediyl)imino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl)
  • 5,5'-(4-thiaheptanedioyldiimino)-bis(2,4,6-triiodoisophthalic acid-bis-(2,3-dihydroxypropyl-N-methyl)diamide)
  • 5,5'-(Thiobis(ethylenecarbonylimino))bis(N,N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethylisophthalamide)
  • ZK 79112
  • Iotasul (USAN/INN)
  • 1,3-Benzenedicarboxamide, 5,5'-(thiobis((1-oxo-3,1-propanediyl)imino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-

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
1,608.34 g/molcalc.
Exact mass
1,607.7374 Dacalc.
LogP (octanol/water)
1.11calc.
Topological polar surface area
301.3 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
24calc.
Heavy atoms
65calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (3 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=C(CCSCCC(=O)Nc1ccccc1)Nc1ccccc1

O=C(CCSCCC(=O)Nc1ccccc1)Nc1ccccc1

2 rings, 23 atoms.

20 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.

Iotasul suppliers

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Iotasul price

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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 Iotasul is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Iotasul?

Iotasul is a chemical substance with the molecular formula C38H50I6N6O14S and a molar mass of 1,608.34 g/mol. Its CAS registry number is 71767-13-0.

What is the CAS number of Iotasul?

The CAS registry number of Iotasul is 71767-13-0.

What is the molecular formula and weight of Iotasul?

The molecular formula of Iotasul is C38H50I6N6O14S and its molar mass is 1,608.34 g/mol.

Is Iotasul hazardous?

No GHS hazard classification for Iotasul 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 Iotasul?

Iotasul is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Iotasul?

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What is the price of Iotasul?

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

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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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