Basic information
- CAS
21004-30-8- Standard SMILES
Cn1c(=O)[nH]c2c(c1=O)CCS2- InChIKey
AQUZHSLZJCZNJE-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2S
- Average molar mass
- 184.22 g/mol
- Monoisotopic mass
- 184.03064868
Names & identifiers
- Preferred name
- 3-Methyl-5,6-dihydrothieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 3-methyl-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
Names & synonyms
21004-30-83-methyl-5,6-dihydrothieno[2,3-d]pyrimidine-2,4(1h,3h)-dione3-methyl-1H,2H,3H,4H,5H,6H-thieno[2,3-d]pyrimidine-2,4-dioneNSC120300DTXSID60298022NSC-120300
Database identifiers
- CAS
21004-30-8- PubChem CID
- 274307
- DTXSID
DTXSID60298022
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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