Carbamic acid, [(2-pyrimidinylamino)thioxomethyl]-, ethyl ester
Basic information
- CAS
54350-26-4- Standard SMILES
CCOC(=O)NC(=S)Nc1ncccn1- InChIKey
DJECLDLDVXHLCF-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2S
- Average molar mass
- 226.26 g/mol
- Monoisotopic mass
- 226.05244675
Names & identifiers
- Preferred name
- Carbamic acid, [(2-pyrimidinylamino)thioxomethyl]-, ethyl ester
- IUPAC
- ethyl N-(pyrimidin-2-ylcarbamothioyl)carbamate
Names & synonyms
54350-26-4Carbamic acid, [(2-pyrimidinylamino)thioxomethyl]-, ethyl esterDTXSID30398629Ethyl [(pyrimidin-2-yl)carbamothioyl]carbamate
Database identifiers
- CAS
54350-26-4- PubChem CID
- 4028085
- DTXSID
DTXSID30398629
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
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Compound notes
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