(1)Benzothieno(2,3-d)pyrimidine-2(3H)-thione, 5,6,7,8-tetrahydro-3-amino-4-phenyl-
Basic information
- CAS
114752-07-7- Standard SMILES
Nn1c(-c2ccccc2)c2c3c(sc2nc1=S)CCCC3- InChIKey
YGYWRDDZUCMKLP-UHFFFAOYSA-N- Molecular formula
- C16H15N3S2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.07073984
Names & identifiers
- Preferred name
- (1)Benzothieno(2,3-d)pyrimidine-2(3H)-thione, 5,6,7,8-tetrahydro-3-amino-4-phenyl-
- IUPAC
- 3-amino-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
Names & synonyms
BRN 3561299(1)Benzothieno(2,3-d)pyrimidine-2(3H)-thione, 5,6,7,8-tetrahydro-3-amino-4-phenyl-114752-07-73-Amino-4-phenyl-5,6,7,8-tetrahydro-(1)benzothieno(2,3-d)pyrimidine-2(3H)-thioneDTXSID70150844RefChem:203885DTXCID90733353-Amino-4-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2(3H)-thione
Database identifiers
- CAS
114752-07-7- PubChem CID
- 3087481
- DTXSID
DTXSID70150844- Nikkaji
- J284.619E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 582
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Compound notes
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