CAS 32873-57-7 5-(Acetylamino)-1,3,4-thiadiazole-2-sulfonyl chloride (HCID 12894451)

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Basic information

CAS: 32873-57-7
Standard SMILES: CC(=O)Nc1nnc(S(=O)(=O)Cl)s1
InChIKey: MEJAPGGFIJZHEJ-UHFFFAOYSA-N
Molecular formula: C4H4ClN3O3S2
Average molar mass: 241.7 g/mol
Monoisotopic mass: 240.93826067

Names & identifiers

Preferred name: 5-(Acetylamino)-1,3,4-thiadiazole-2-sulfonyl chloride
IUPAC: 5-acetamido-1,3,4-thiadiazole-2-sulfonyl chloride
English name: 2-(Acetamido)-5-(chlorosulfonyl)-1,3,4-thiadiazole
Molecular formula: C4H4ClN3O3S2
Molecular weight: 241.67586

Names & synonyms

32873-57-7Sulfohydrazide2-Acetamine-5-sulfochloride-1,3,4-thiadiazoleDTXSID601865365-(acetylamino)-1,3,4-Thiadiazole-2-sulfonyl chlorideRefChem:913200DTXCID001090275-acetamido-1,3,4-thiadiazole-2-sulfonyl chlorideMFCD00702860C4H4ClN3O3S2SCHEMBL196871,3,4-Thiadiazole-2-sulfonylchloride, 5-(acetylamino)-

Show more names

Acetazolamide Impurity 5Acetazolamide Impurity 8Acetazolamide Impurity 10Acetazolamide Sulfonylchloride Impurity5-acetamido-1,3,4-thiadiazolyl-2-sulfonyl chloride2-(Acetamido)-5-(chlorosulfonyl)-1,3,4-thiadiazole 5-(Acetylamino)-1,3,4-thiadiazole-2-sulfonyl chloride

1,3,4-Thiadiazole-2-sulfonyl chloride, 5-(acetylamino)-MEJAPGGFIJZHEJ-UHFFFAOYSA-N2-(ACETAMIDO)-5-(CHLOROSULFONYL)-1,3,4-THIADIAZOLEAKOS006334542DA-06857NS-03407SY246500EN300-131112

Database identifiers

CAS: 32873-57-7

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 126 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 300

Physicochemical properties

Melting point: 230 °C · 230 °C
Density: 1.788 · 1.788±0.06 g/cm3(Predicted)
solubility: Methanol; DMSO; DMF;
form: Solid
pka: 8.58 · 8.58±0.50(Predicted)
color: Off-white
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310

Chemistry & industry

Applications

Uses5-(Acetylamino)-1,3,4-thiadiazole-2-sulfonyl Chloride is an intermediate used in the synthesis of Bis[5-(acetylamino)-1,3,4-thiadiazole-2-sulfonyl]amine (B400160), which is an impurity of Acetazolamide (A161500). Acetazolamide EP Impurity F