2-butylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Basic information
- CAS
337349-22-1- Standard SMILES
CCCCSc1nc(=O)c2c3c(sc2[nH]1)CCCC3- InChIKey
BMBQRLIOSORMCJ-UHFFFAOYSA-N- Molecular formula
- C14H18N2OS2
- Average molar mass
- 294.4 g/mol
Names & identifiers
- Preferred name
- 2-butylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-butylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-(butylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C14H18N2OS2
- Molecular weight
- 294.44
Names & synonyms
2-butylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one337349-22-12-(butylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-oneSTK830543AKOS000510411AR-434/11843617Z2239315102-(butylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2-(butylthio)-5,6,7,8-tetrahydro-
Database identifiers
- CAS
337349-22-1
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
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Compound notes
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