Basic information
- CAS
38243-77-5- Standard SMILES
S=c1cc(-c2nn[nH]n2)oc2ccccc12- InChIKey
FSDKGBPLTGBNOA-UHFFFAOYSA-N- Molecular formula
- C10H6N4OS
- Average molar mass
- 230.25 g/mol
- Monoisotopic mass
- 230.026232
Names & identifiers
- Preferred name
- 2-(2H-Tetrazol-5-yl)-4H-1-benzopyran-4-thione
- IUPAC
- 2-(2H-tetrazol-5-yl)chromene-4-thione
Names & synonyms
38243-77-5DTXSID009591852-(2H-Tetrazol-5-yl)-4H-1-benzopyran-4-thioneRefChem:1060959DTXCID801387071BRN 09908982-(1H-Tetrazol-5-yl)-4H-1-benzopyran-4-thione4H-1-Benzopyran-4-thione, 2-(1H-tetrazol-5-yl)-
Database identifiers
- CAS
38243-77-5- PubChem CID
- 217201
- DTXSID
DTXSID00959185
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…