Basic information
- CAS
354131-85-4- Standard SMILES
N#CCSc1nnc(CCc2nnc(SCC#N)[nH]2)[nH]1- InChIKey
OLCVPBOXHYLMGV-UHFFFAOYSA-N- Molecular formula
- C10H10N8S2
- Average molar mass
- 306.4 g/mol
Names & identifiers
- Preferred name
- {[5-(2-{5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
- IUPAC
- 2-[[5-[2-[3-(cyanomethylsulfanyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
- English name
- {[5-(2-{5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
- Molecular formula
- C10H10N8S2
- Molecular weight
- 306.37
Names & synonyms
{[5-(2-{5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrileAO-476/151890222-[[5-[2-[3-(cyanomethylsulfanyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
Database identifiers
- CAS
354131-85-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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