Basic information
- CAS
438228-14-9- Standard SMILES
CCc1c(-c2n[nH]c(=S)n2CC2CCCO2)csc1C- InChIKey
KCIRFMQUGOGIRM-UHFFFAOYSA-N- Molecular formula
- C14H19N3OS2
- Average molar mass
- 309.5 g/mol
- Monoisotopic mass
- 309.09695459
Names & identifiers
- Preferred name
- 3-(4-ethyl-5-methylthiophen-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
- IUPAC
- 3-(4-ethyl-5-methylthiophen-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Names & synonyms
438228-14-95-(4-Ethyl-5-methyl-3-thienyl)-2,4-dihydro-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thioneOprea1_358853DTXSID601112199STK956311AKOS0032950063-(4-ethyl-5-methylthiophen-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione5-(4-ethyl-5-methylthiophen-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiolST50831564AK-968/411714655-(4-ethyl-5-methyl(3-thienyl))-4-(oxolan-2-ylmethyl)-1,2,4-triazole-3-thiol5-(4-ethyl-5-methyl-3-thienyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazole-3-thiol
Show more names
5-(4-ethyl-5-methyl-3-thienyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl hydrosulfide5-(4-Ethyl-5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
438228-14-9- PubChem CID
- 4095271
- DTXSID
DTXSID601112199
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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