Basic information
- CAS
94-19-9- Standard SMILES
CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1- InChIKey
SVYBEBLNQGDRHF-UHFFFAOYSA-N- Molecular formula
- C10H12N4O2S2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.04016799
Overview
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is a member of benzenes and a sulfonamide.
Names & identifiers
- Preferred name
- Sulfaethidole
- IUPAC
- 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
- English name
- 4-Amino-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
- Molecular formula
- C10H12N4O2S2
- Molecular weight
- 284.36
Names & synonyms
Sulfaethidole94-19-9Sul-SpansionSulphaethidoleAethazolumBerlophenSulfaetidolSolfetidoloSulfaethidolumDTXSID4046286R77Q4O5ZMDBenzenesulfonamide, 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
Show more names
setdetazolethazoleglobucidglobucinglobuzidsethadilaethazol
DTXCID2026286RefChem:186484202-312-44-Amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamideSulfaethylthiadiazoleSulfaethidioleSulfaethidolEtazole
Database identifiers
- CAS
94-19-9- PubChem CID
- 7181
- DTXSID
DTXSID4046286- ChEMBL
CHEMBL1355299- ChEBI
CHEBI:107668- UNII
- R77Q4O5ZMD
- EC Number
- 202-312-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
LogP1.01
Solubility25.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 185.5 · 185.5-186.0°
- Density
- 1.341 · 1.3410 (rough estimate)
- refractive index
- 1.644 · 1.6440 (estimate)
- pka
- 5.36 · pKa 5.36(H2O t = 37) (Uncertain)
- Water Solubility
- 215 mg/L · 215mg/L(20 ºC)
- FDA UNII
- 77 Q4O5ZMD · R77Q4O5ZMD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 1459mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is a member of benzenes and a sulfonamide.
Related reactions
4 records
Compound notes
Loading…