2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine
Basic information
- CAS
78052-14-9- Standard SMILES
CSC1=NCc2c(sc3c2CCCC3)N1- InChIKey
HYOXSVMQRVRBSN-UHFFFAOYSA-N- Molecular formula
- C11H14N2S2
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.0598408
Names & identifiers
- Preferred name
- 2-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidine
- IUPAC
- 2-methylsulfanyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine
Names & synonyms
78052-14-92-(Methylthio)-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidineH95X8Y694HNSC358875NSC 358875UNII-H95X8Y694HNSC-3588752-(Methylthio)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidineDTXSID302286992-(Methylsulfanyl)-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine2-methylsulfanyl-3,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidine3,4,5,6,7,8-Hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl methyl sulfide
Show more names
(1)BENZOTHIENO(2,3-D)PYRIMIDINE, 1,4,5,6,7,8-HEXAHYDRO-2-(METHYLTHIO)-1,4,5,6,7,8-HEXAHYDRO-2-(METHYLTHIO)(1)BENZOTHIENO(2,3-D)PYRIMIDINE
Database identifiers
- CAS
78052-14-9- PubChem CID
- 338077
- DTXSID
DTXSID30228699- UNII
- H95X8Y694H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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