3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Basic information
- CAS
847783-61-3- Standard SMILES
Cn1c(=S)[nH]c2cc(C(=O)O)ccc2c1=O- InChIKey
CCTYTROLVDLRGA-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3S
- Average molar mass
- 236.25 g/mol
- Monoisotopic mass
- 236.0255633
Names & identifiers
- Preferred name
- 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
- IUPAC
- 3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Names & synonyms
847783-61-33-METHYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXYLIC ACID3-methyl-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid3-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid1,2,3,4-Tetrahydro-3-methyl-4-oxo-2-thioxo-7-quinazolinecarboxylic acidDTXSID701152815XIB78361AKOS008045803AKOS022231709NCGC00663262-01DB-374438
Show more names
EN300-13747SR-01000070954SR-01000070954-1Z906676523-methyl-4-oxo-2-sulfanyl-3,4-dihydro-7-quinazolinecarboxylic acid3-METHYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXYLICACID
Database identifiers
- CAS
847783-61-3- PubChem CID
- 4850197
- DTXSID
DTXSID701152815
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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