5-Amino-1,3,4-thiadiazole-2-sulfonamide

HCID 84724

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Basic information

CAS: 14949-00-9
Standard SMILES: Nc1nnc(S(N)(=O)=O)s1
InChIKey: VGMVBPQOACUDRU-UHFFFAOYSA-N
Molecular formula: C2H4N4O2S2
Average molar mass: 180.21 g/mol
Monoisotopic mass: 179.97756737

Overview

structure in first source

Names & identifiers

Preferred name: 5-Amino-1,3,4-thiadiazole-2-sulfonamide
IUPAC: 5-amino-1,3,4-thiadiazole-2-sulfonamide
English name: 5-Amino-1,3,4-thiadiazole-2-sulfonamide
Molecular formula: C2H4N4O2S2
Molecular weight: 180.21

Names & synonyms

5-Amino-1,3,4-thiadiazole-2-sulfonamide14949-00-95-Amino-TDSNH22-Amino-1,3,4-thiadiazole-5-sulfonamideF687N81LIZDTXSID10164324Hats cpdRefChem:585782DTXCID3086815687-998-7Tio-urasinCL 5343

Show more names

5-AMino-1,3,4-thiadiazole-2-sulfonaMide Hydrochloride SaltL 5343Nsc22979ZolamideLavybens Refrence Standard RC-DAcetazolamide Impurity 4 MonomerAcetazolamide USP Related Compound D5-Amino-1,3,4-thiadiazol-2-sulfonamide

1,3,4-Thiadiazole-2-sulfonamide, 5-amino-Acetazolamide EP Impurity DMFCD03425417NSC 22979DESACETYL ACETAZOLAMIDE2-Amino-1,3,4-thiadazole-5-sulfonamideCHEMBL265674NSC-22979

Database identifiers

CAS: 14949-00-9
PubChem CID: 84724
DTXSID: DTXSID10164324
ChEMBL: CHEMBL265674
UNII: F687N81LIZ
EC Number: 687-998-7
Nikkaji: J14.759A

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 149 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 208

Experimental & physicochemical properties

LogP-0.9

Physicochemical properties

Melting point: 188 · 188-190°C
Boiling point: 484.2 · 484.2±28.0 °C(Predicted)
Density: 1.865 · 1.865±0.06 g/cm3(Predicted)
refractive index: 1.644 · 1.6440 (estimate)
storage temp.: Refrigerator
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 7.76 · 7.76±0.60(Predicted)
color: White
Water Solubility: 4.739 g/L · 4.739g/L(15 ºC)
Major Application: pharmaceutical (small molecule)
InChI: InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
InChIKey: VGMVBPQOACUDRU-UHFFFAOYSA-N
SMILES: S1C(N)=NN=C1S(N)(=O)=O
FDA UNII: 687 N81LIZ · F687N81LIZ
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
WGK Germany: 3 · WGK 3
HS Code: 2935909550 · 2935909550
Storage Class: 11 · 11 - Combustible Solids
Toxicity: 5343 SODIUM · CL 5343 SODIUM SALT TIO-URASIN SODIUM ZOLAMIDE SOLUTION

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

wgk: WGK 3
hs_code: 2935909550
Toxicity: CL 5343 SODIUM SALT TIO-URASIN SODIUM ZOLAMIDE SOLUTION
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H302-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501