2-(Isopentylsulfanyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamine
Basic information
- CAS
374922-62-0- Standard SMILES
CC(C)CCSc1nc(N)c2c3c(sc2n1)CC(C)CC3- InChIKey
ZQBOAAYKCVHBFT-UHFFFAOYSA-N- Molecular formula
- C16H23N3S2
- Average molar mass
- 321.5 g/mol
Names & identifiers
- Preferred name
- 2-(Isopentylsulfanyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamine
- IUPAC
- 7-methyl-2-(3-methylbutylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
- English name
- 2-(isopentylsulfanyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamine
- Molecular formula
- C16H23N3S2
- Molecular weight
- 321.5
Names & synonyms
2-(isopentylsulfanyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamine374922-62-0STK829963AKOS0035946907-methyl-2-(3-methylbutylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amineAJ-292/407066312-(isopentylthio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine7-methyl-2-[(3-methylbutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine[1]Benzothieno[2,3-d]pyrimidin-4-amine, 5,6,7,8-tetrahydro-7-methyl-2-[(3-methylbutyl)thio]-
Database identifiers
- CAS
374922-62-0
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 527.6 · 527.6±60.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 5.12 · 5.12±0.40(Predicted)
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Compound notes
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