(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride

C9H14ClNS — CID 168719793

IUPAC(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
SMILESCSc1cccc([C@H](C)N)c1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7(10)8-4-3-5-9(6-8)11-2;/h3-7H,10H2,1-2H3;1H/t7-;/m0./s1
InChIKeyFKRRLYWDTZYAKM-FJXQXJEOSA-N
MW203.74 g/mol
LogP2.85
Rot. Bonds2

About (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride

(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride (PubChem CID 168719793) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
PubChem CID168719793
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
SMILESCSc1cccc([C@H](C)N)c1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7(10)8-4-3-5-9(6-8)11-2;/h3-7H,10H2,1-2H3;1H/t7-;/m0./s1
InChIKeyFKRRLYWDTZYAKM-FJXQXJEOSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 114934306
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine
CID 64662525
1-[3-(cyclopropylmethylsulfanyl)phenyl]ethanamine
CID 64662516
ethane;1-fluoro-3-propan-2-ylbenzene;1-methylsulfanyl-3-propan-2-ylbenzene
CID 155735677
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1-(3-octylsulfanylphenyl)ethanamine
CID 64662322
1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine
CID 64662332
1-[3-(2-ethylsulfonylethylsulfanyl)phenyl]ethanamine
CID 64663148
4-[3-(1-aminoethyl)phenyl]sulfanylbutanenitrile
CID 64662549
methyl 2-[3-(1-aminoethyl)phenyl]sulfanylpropanoate
CID 64662519

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride (CID 168719793) is (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride is CSc1cccc([C@H](C)N)c1.Cl.
What is the InChIKey of (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
The InChIKey is FKRRLYWDTZYAKM-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-7(10)8-4-3-5-9(6-8)11-2;/h3-7H,10H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 168719793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).