Basic information
- CAS
38942-57-3- Standard SMILES
S=c1[nH]nc(-c2ccccc2)n1C1CCCCC1- InChIKey
VTLLUDFHDJESNU-UHFFFAOYSA-N- Molecular formula
- C14H17N3S
- Average molar mass
- 259.37 g/mol
- Monoisotopic mass
- 259.11431873
Names & identifiers
- Preferred name
- 4-cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione
- English name
- 4-cyclohexyl-5-phenyl-2H-1,2,4-triazole-3-thione
- Molecular formula
- C14H17N3S
- Molecular weight
- 259.37
Names & synonyms
38942-57-34-cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione4-cyclohexyl-5-phenyl-1,2,4-triazole-3-thiolMFCD014088154h-1,2,4-triazole-3-thiol, 4-cyclohexyl-5-phenyl-4-cyclohexyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione4-cyclohexyl-5-phenyl-2H-1,2,4-triazole-3-thione4-Cyclohexyl-5-phenyl-4H-[1,2,4]triazole-3-thiolCL-302396SR-010004180974-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Show more names
3-mercapto-4-cyclohexyl-5-phenyl-4H-1,2,4-triazole3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-phenyl-
NSC305339CBMicro_038630Oprea1_605786Oprea1_819527SCHEMBL1104432DTXSID70351298ALBB-018527SBB004492
Database identifiers
- CAS
38942-57-3- PubChem CID
- 696377
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 185 °C · 185 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 365 · 365.0±25.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 8.39 · 8.39±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
BOC Sciences16314854226; +8616314854226 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
Aladdin Scientific[email protected]
济南九黎生物科技有限公司15865264761 · [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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