Basic information
- CAS
247225-84-9- Standard SMILES
Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1- InChIKey
IVPDFKYKTMICSK-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2S
- Average molar mass
- 236.25 g/mol
- Monoisotopic mass
- 236.03679668
Names & identifiers
- Preferred name
- 5-(4-Nitrobenzyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
- English name
- 5-(4-Nitro-benzyl)-[1,3,4]thiadiazol-2-ylamine
- Molecular formula
- C9H8N4O2S
- Molecular weight
- 236.25
Names & synonyms
247225-84-95-(4-nitrobenzyl)-1,3,4-thiadiazol-2-amine2-amino-5-(4-nitrobenzyl)-1,3,4-thiadiazole5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine5-(4-nitrobenzyl)-[1,3,4]thiadiazol-2-ylamine5-(4-Nitro-benzyl)-[1,3,4]thiadiazol-2-ylamineMFCD004501895-[(4-nitrophenyl)methyl]-1,3,4-thiadiazole-2-ylamineCambridge id 5313503Oprea1_735295Oprea1_825295SCHEMBL5172858
Show more names
VITAS-BB TBB000075CHEMBRDG-BB 53135031,3,4-Thiadiazol-2-amine, 5-[(4-nitrophenyl)methyl]-
DTXSID80350676HTS07022SBB027507STK021626AKOS000301700SY318022DB-027680ST4046715
Database identifiers
- CAS
247225-84-9- PubChem CID
- 685697
- DTXSID
DTXSID80350676
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers8 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…