5-(2-methyloxiran-2-ylmethylthio)-1-phenyl-1H-tetrazole
Basic information
- CAS
681483-83-0- Standard SMILES
CC1(CSc2nnnn2-c2ccccc2)CO1- InChIKey
RKTFBSVVVMPPIM-UHFFFAOYSA-N- Molecular formula
- C11H12N4OS
- Average molar mass
- 248.31 g/mol
- Monoisotopic mass
- 248.073182
Names & identifiers
- Preferred name
- 5-(2-methyloxiran-2-ylmethylthio)-1-phenyl-1H-tetrazole
- IUPAC
- 5-[(2-methyloxiran-2-yl)methylsulfanyl]-1-phenyltetrazole
Names & synonyms
SCHEMBL5538689RKTFBSVVVMPPIM-UHFFFAOYSA-NDTXSID501190255AKOS0156807215-(2-methyloxiran-2-ylmethylthio)-1-phenyl-1H-tetrazole5-(2-methyl-2-oxiranylmethylsulfanyl)-1-phenyl-1H-tetrazole5-[[(2-Methyl-2-oxiranyl)methyl]thio]-1-phenyl-1H-tetrazole5-{[(2-Methyloxiran-2-yl)methyl]sulfanyl}-1-phenyl-1H-tetrazole681483-83-0
Database identifiers
- CAS
681483-83-0- PubChem CID
- 23081534
- DTXSID
DTXSID501190255
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
Loading…