6-Methyl-5-thioxodihydropyrimidine-2,4(1h,3h)-dione
Basic information
- CAS
6939-61-3- Standard SMILES
CC1NC(=O)NC(=O)C1=S- InChIKey
LSQMQHRHCMXGGO-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2S
- Average molar mass
- 158.18 g/mol
- Monoisotopic mass
- 158.01499861
Names & identifiers
- Preferred name
- 6-Methyl-5-thioxodihydropyrimidine-2,4(1h,3h)-dione
- IUPAC
- 6-methyl-5-sulfanylidene-1,3-diazinane-2,4-dione
Names & synonyms
6-methyl-5-thioxodihydropyrimidine-2,4(1h,3h)-dione6939-61-3DTXSID70288651RefChem:309047DTXCID60239798NSC570716-methyl-5-sulfanylidene-1,3-diazinane-2,4-dionethioxo-6-methyldihydrouracilNSC-57071
Database identifiers
- CAS
6939-61-3- PubChem CID
- 245294
- DTXSID
DTXSID70288651
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 214
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Compound notes
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