2-(3-methylsulfanylphenyl)ethanamine;hydrochloride

C9H14ClNS — CID 155943836

IUPAC2-(3-methylsulfanylphenyl)ethanamine;hydrochloride
SMILESCSc1cccc(CCN)c1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-11-9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H
InChIKeyHAXLPXVKDIMCJY-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.33
Rot. Bonds3

About 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride

2-(3-methylsulfanylphenyl)ethanamine;hydrochloride (PubChem CID 155943836) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methylsulfanylphenyl)ethanamine;hydrochloride
PubChem CID155943836
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name2-(3-methylsulfanylphenyl)ethanamine;hydrochloride
SMILESCSc1cccc(CCN)c1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-11-9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H
InChIKeyHAXLPXVKDIMCJY-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride (CID 155943836) is 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride is CSc1cccc(CCN)c1.Cl.
What is the InChIKey of 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
The InChIKey is HAXLPXVKDIMCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-11-9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H.
What are the key properties of 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride?
2-(3-methylsulfanylphenyl)ethanamine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 155943836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).