Basic information
- CAS
89652-23-3- Standard SMILES
S=C(Nc1ccccc1)N1CCc2ccccc2C1- InChIKey
FAPOHPPTCHNTGU-UHFFFAOYSA-N- Molecular formula
- C16H16N2S
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.10341969
Names & identifiers
- Preferred name
- 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-
- IUPAC
- N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
- English name
- N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
- Molecular formula
- C16H16N2S
- Molecular weight
- 268.38
Names & synonyms
89652-23-32(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-DTXSID60354632RefChem:241192DTXCID90305692N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamideN-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamideOprea1_598146N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamideSCHEMBL13720129STK868325AKOS000663716
Show more names
ST50276619SR-01000433131SR-01000433131-1(phenylamino)-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione
Database identifiers
- CAS
89652-23-3- PubChem CID
- 777402
- DTXSID
DTXSID60354632
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 143 · 143-144 °C(Solv: dichloromethane (75-09-2))
- Boiling point
- 412 · 412.0±55.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 13.34 · 13.34±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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