Basic information
- CAS
59898-61-2- Standard SMILES
CCCCn1c(=S)[nH]c2sc(C)c(C)c2c1=O- InChIKey
RXPJIWZKRVZASH-UHFFFAOYSA-N- Molecular formula
- C12H16N2OS2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.07040549
Names & identifiers
- Preferred name
- 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
- IUPAC
- 3-butyl-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
- English name
- 3-BUTYL-2-MERCAPTO-5,6-DIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
- Molecular formula
- C12H16N2OS2
- Molecular weight
- 0
Names & synonyms
59898-61-23-butyl-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one3-Butyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one3-butyl-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-oneC12H16N2OS2DTXSID10368345JCA89861AKOS000116225CS-0219251EN300-03518Z55664679
Show more names
3-butyl-5,6-dimethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one3-Butyl-5,6-dimethyl-2-sulfanylidene-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
59898-61-2- PubChem CID
- 2383091
- DTXSID
DTXSID10368345
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Chemistry & industry
Suppliers7 total
北京奥龙飞科技有限公司—
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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