Basic information
- CAS
74270-76-1- Standard SMILES
S=c1[nH]nc(-c2ccncc2)n1-c1ccc(Cl)cc1- InChIKey
LIUGWBZKHWBZRM-UHFFFAOYSA-N- Molecular formula
- C13H9ClN4S
- Average molar mass
- 288.76 g/mol
- Monoisotopic mass
- 288.0236452
Names & identifiers
- Preferred name
- 4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
- IUPAC
- 4-(4-chlorophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
- English name
- 4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
- Molecular formula
- C13H9ClN4S
- Molecular weight
- 0
Names & synonyms
74270-76-14-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol4-(4-chlorophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione4-(4-Chlorophenyl)-5-(4-pyridinyl)-4h-1,2,4-triazole-3-thiol4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiolSCHEMBL11919915DTXSID00359565ZCA27076NSC824724SBB038359STK743691
Show more names
4-(4-chlorophenyl)-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
AKOS000115792NSC-824724ST4093933CS-0116961ST50211090EN300-03109G26376AA-504/34969039
Database identifiers
- CAS
74270-76-1- PubChem CID
- 971402
- DTXSID
DTXSID00359565- Nikkaji
- J1.656.217C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
北京奥龙飞科技有限公司—
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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