Basic information
- CAS
494194-50-2- Standard SMILES
Cn1c(-c2ccc(Br)cc2)n[nH]c1=S- InChIKey
FHXAECCDIGEICD-UHFFFAOYSA-N- Molecular formula
- C9H8BrN3S
- Average molar mass
- 270.15 g/mol
- Monoisotopic mass
- 268.96223
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(4-bromophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- 5-(4-Bromo-phenyl)-4-methyl-4 H-[1,2,4]triazole-3-thiol
- Molecular formula
- C9H8BrN3S
- Molecular weight
- 270.15
Names & synonyms
494194-50-25-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiolDTXSID20353767RefChem:299822DTXCID203048305-(4-Bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione3-(4-bromophenyl)-4-methyl-1H-1,2,4-triazole-5-thione5-(4-Bromo-phenyl)-4-methyl-4H-[1,2,4]triazole-3-thiolMFCD03995808MFCD027409975-(4-bromophenyl)-4-methyl-1,2,4-triazole-3-thiol3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Show more names
AKOS B015866BUTTPARK 35\03-86VITAS-BB TBB008471TIMTEC-BB SBB009383CHEMBRDG-BB 3015866ART-CHEM-BB B0158663H-1,2,4-Triazole-3-thione, 5-(4-bromophenyl)-2,4-dihydro-4-methyl-
5-(4-BROMO-PHENYL)-4-METHYL-4 H-[1,2,4]TRIAZOLE-3-THIOLHMS1616I21UUA19450CCG-23847SBB009383STK349252AKOS000305564AKOS001699271
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 246 · 246~248℃
- storage temp.
- 2 · 2-8°C
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
桂林益天成生物科技有限公司0773-0773-8280552 18978691595 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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