Basic information
- CAS
937598-12-4- Standard SMILES
CCn1c(=S)[nH]c2sc(C)cc2c1=O- InChIKey
GEBAIIFLBDDNRD-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS2
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.02345529
Names & identifiers
- Preferred name
- 3-Ethyl-2-mercapto-6-methylthieno[2,3-D]pyrimidin-4(3H)-one
- IUPAC
- 3-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
- English name
- 3-ethyl-2-mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C9H10N2OS2
- Molecular weight
- 226.32
Names & synonyms
937598-12-43-ETHYL-2-MERCAPTO-6-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE3-ethyl-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1h)-oneMFCD08558204DTXSID8011580163-ethyl-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-oneSBB023782STK350836AKOS000313424CS-0298311EN300-230730
Show more names
Thieno[2,3-d]pyrimidin-4(1H)-one, 3-ethyl-2,3-dihydro-6-methyl-2-thioxo-
3-ethyl-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one3-ethyl-6-methyl-2-sulfanyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one3-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one3-Ethyl-2,3-dihydro-6-methyl-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one3-Ethyl-6-methyl-2-sulfanylidene-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
937598-12-4- PubChem CID
- 19616601
- DTXSID
DTXSID801158016
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 373.2 · 373.2±44.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 11.3 · 11.30±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Fluorochem Ltd[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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