Basic information
- CAS
83757-08-8- Standard SMILES
Nc1nc(SCc2ccccc2)ns1- InChIKey
UOIUWIYFNWLYPM-UHFFFAOYSA-N- Molecular formula
- C9H9N3S2
- Average molar mass
- 223.3 g/mol
- Monoisotopic mass
- 223.02378965
Names & identifiers
- Preferred name
- 3-(Benzylsulfanyl)-1,2,4-thiadiazol-5-amine
- IUPAC
- 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine
- English name
- 3-BENZYLSULFANYL-[1,2,4]THIADIAZOL-5-YLAMINE
- Molecular formula
- C9H9N3S2
- Molecular weight
- 223.32
Names & synonyms
83757-08-83-(Benzylsulfanyl)-1,2,4-thiadiazol-5-amineDTXSID50340307RefChem:275150DTXCID30291388893-933-53-Benzylsulfanyl-[1,2,4]thiadiazol-5-ylamine3-(benzylthio)-1,2,4-thiadiazol-5-amine3-benzylsulfanyl-1,2,4-thiadiazol-5-amineMFCD006495351,2,4-Thiadiazol-5-amine,3-[(phenylmethyl)thio]-3-(phenylmethylthio)-1,2,4-thiadiazole-5-ylamine
Show more names
AKOS BBS-000062795-Amino-3-benzylthio-1,2,4-thiadiazole1,2,4-Thiadiazol-5-amine, 3-benzylthio-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]amine3-(phenylmethylthio)-1,2,4-thiadiazol-5-amine3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
1,2,4-Thiadiazol-5-amine, 3-[(phenylmethyl)thio]-F2158-0566MLS000061243CHEMBL1329383SCHEMBL10535559UOIUWIYFNWLYPM-UHFFFAOYSA-NHMS1683M06HMS2350N14
Database identifiers
- CAS
83757-08-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 416.2 · 416.2±38.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 1.28 · 1.28±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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