Basic information
- CAS
26131-68-0- Standard SMILES
CCn1c(-c2cccnc2)n[nH]c1=S- InChIKey
NCPZCRVLFQRVRR-UHFFFAOYSA-N- Molecular formula
- C9H10N4S
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.06261751
Names & identifiers
- Preferred name
- 4-Ethyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
- IUPAC
- 4-ethyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
- English name
- 4-Ethyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
- Molecular formula
- C9H10N4S
- Molecular weight
- 206.27
Names & synonyms
26131-68-04-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol4-Ethyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(3-pyridinyl)-4-ethyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione4-ethyl-5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol4-ethyl-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione4-ethyl-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione4-ethyl-5-(3-pyridyl)-1,2,4-triazole-3-thiolOprea1_792311MLS000553300SCHEMBL1545128
Show more names
AKOS BBS-00003452TIMTEC-BB SBB007101ART-CHEM-BB B0180494-Ethyl-5-(pyridin-3-yl)4-ethyl-5-(3-pyridyl)-2H-1,2,4-triazole-3-thione4-ethyl-5-pyridin-3-yl-2H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione,4-ethyl-2,4-dihydro-5-(3-pyridinyl)-
CHEMBL1576865DTXSID50353912NCPZCRVLFQRVRR-UHFFFAOYSA-NHMS1647H15HMS2494H14ALBB-003355MFCD01953920SBB007101
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
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
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [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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