Ethyl N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)carbamate
Basic information
- CAS
111041-93-1- Standard SMILES
CCOC(=O)Nn1c(=S)[nH]c2ccccc2c1=O- InChIKey
SSNHCZKDWFYTMU-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3S
- Average molar mass
- 265.29 g/mol
- Monoisotopic mass
- 265.05211239
Names & identifiers
- Preferred name
- Ethyl N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)carbamate
- IUPAC
- ethyl N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)carbamate
Names & synonyms
Ethyl N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)carbamate111041-93-1RefChem:344898DTXSID601173105Ethyl (4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)carbamate
Database identifiers
- CAS
111041-93-1- PubChem CID
- 13697355
- DTXSID
DTXSID601173105
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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