2,3-Dihydro-3-methyl-6-nitro-2-thioxo-4(1H)-quinazolinone
Basic information
- CAS
174313-66-7- Standard SMILES
Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc2c1=O- InChIKey
VTGLRXGMWWGGNL-UHFFFAOYSA-N- Molecular formula
- C9H7N3O3S
- Average molar mass
- 237.24 g/mol
- Monoisotopic mass
- 237.02081227
Names & identifiers
- Preferred name
- 2,3-Dihydro-3-methyl-6-nitro-2-thioxo-4(1H)-quinazolinone
- IUPAC
- 3-methyl-6-nitro-2-sulfanylidene-1H-quinazolin-4-one
Names & synonyms
174313-66-72,3-Dihydro-3-methyl-6-nitro-2-thioxo-4(1H)-quinazolinoneRefChem:244820SCHEMBL16007675VTGLRXGMWWGGNL-UHFFFAOYSA-NDTXSID401196331AKOS0001232443-methyl-6-nitro-2-thioxo-2,3-dihydro-1H-quinazolin-4-one3-Methyl-6-nitro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Database identifiers
- CAS
174313-66-7- PubChem CID
- 16767643
- DTXSID
DTXSID401196331- Nikkaji
- J790.266B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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