Basic information
- CAS
30695-38-6- Standard SMILES
COc1ccc(N2C(=O)C(C)CNC2=S)cc1- InChIKey
ZQTJFHSEMQBEQW-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
- IUPAC
- 3-(4-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
Names & synonyms
30695-38-63-(4-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-oneNSC121903DTXSID10408674NSC-121903
Database identifiers
- CAS
30695-38-6- PubChem CID
- 5137366
- DTXSID
DTXSID10408674
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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