Basic information
- CAS
87996-09-6- Standard SMILES
C=CCn1nnn(C)c1=S- InChIKey
HWOQDJYJFLCCGA-UHFFFAOYSA-N- Molecular formula
- C5H8N4S
- Average molar mass
- 156.21 g/mol
- Monoisotopic mass
- 156.04696745
Names & identifiers
- Preferred name
- 1-Methyl-4-(prop-2-en-1-yl)-1,4-dihydro-5H-tetrazole-5-thione
- IUPAC
- 1-methyl-4-prop-2-enyltetrazole-5-thione
Names & synonyms
DTXSID6052504287996-09-61-Methyl-4-(prop-2-en-1-yl)-1,4-dihydro-5H-tetrazole-5-thioneRefChem:231858DTXCID70475847
Database identifiers
- CAS
87996-09-6- PubChem CID
- 13179357
- DTXSID
DTXSID60525042
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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