Basic information
- CAS
26028-97-7- Standard SMILES
COc1cc(-c2n[nH]c(=S)n2C2CCCCC2)cc(OC)c1OC- InChIKey
RVGXNGRYLSLIIC-UHFFFAOYSA-N- Molecular formula
- C17H23N3O3S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14601278
Names & identifiers
- Preferred name
- 4-Cyclohexyl-5-(3,4,5-trimethoxy-phenyl)-4h-[1,2,4]triazole-3-thiol
- IUPAC
- 4-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
- English name
- 4-Cyclohexyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
- Molecular formula
- C17H23N3O3S
- Molecular weight
- 349.45
Names & synonyms
26028-97-74-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol4-cyclohexyl-5-(3,4,5-trimethoxy-phenyl)-4h-[1,2,4]triazole-3-thiol4-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thioneOprea1_436986SCHEMBL10012346DTXSID80351446BBA02897CCG-44649STK326732STK675659
Show more names
4-cyclohexyl-5-(3,4,5-trimethoxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-(3,4,5-trimethoxyphenyl)-
AKOS000116204AKOS000346944CS-0219248ST50426495EN300-03512AG-205/13061111AK-245/11362029SR-01000525643
Database identifiers
- CAS
26028-97-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Chemistry & industry
Suppliers8 total
北京奥龙飞科技有限公司—
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [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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