8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride

C15H16ClNS — CID 14281267

IUPAC8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.c1ccc(SC2CCCc3cccnc32)cc1
InChIInChI=1S/C15H15NS.ClH/c1-2-8-13(9-3-1)17-14-10-4-6-12-7-5-11-16-15(12)14;/h1-3,5,7-9,11,14H,4,6,10H2;1H
InChIKeyGBPBDJGSNKRWLT-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.67
Rot. Bonds2

About 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride

8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 14281267) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
PubChem CID14281267
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.c1ccc(SC2CCCc3cccnc32)cc1
InChIInChI=1S/C15H15NS.ClH/c1-2-8-13(9-3-1)17-14-10-4-6-12-7-5-11-16-15(12)14;/h1-3,5,7-9,11,14H,4,6,10H2;1H
InChIKeyGBPBDJGSNKRWLT-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 14281248
8-(4-butoxyphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline
CID 14281273
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491

Frequently Asked Questions

What is the IUPAC name of 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
The IUPAC name of 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 14281267) is 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride is Cl.c1ccc(SC2CCCc3cccnc32)cc1.
What is the InChIKey of 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
The InChIKey is GBPBDJGSNKRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS.ClH/c1-2-8-13(9-3-1)17-14-10-4-6-12-7-5-11-16-15(12)14;/h1-3,5,7-9,11,14H,4,6,10H2;1H.
What are the key properties of 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 14281267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).