(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride

C9H14ClNS — CID 66876860

IUPAC(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
SMILESCSc1ccc(C)cc1CN.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7-3-4-9(11-2)8(5-7)6-10;/h3-5H,6,10H2,1-2H3;1H
InChIKeyARNPFJALDSWDAK-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.60
Rot. Bonds2

About (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride

(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride (PubChem CID 66876860) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
PubChem CID66876860
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
SMILESCSc1ccc(C)cc1CN.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7-3-4-9(11-2)8(5-7)6-10;/h3-5H,6,10H2,1-2H3;1H
InChIKeyARNPFJALDSWDAK-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene
CID 145419397
(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
CID 107931471
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418
[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931436
[4-methyl-2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 170900093
(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 107931477
(2-cyclopropyl-5-methylphenyl)methanamine
CID 90236498
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine
CID 117299551

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride (CID 66876860) is (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride is CSc1ccc(C)cc1CN.Cl.
What is the InChIKey of (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride?
The InChIKey is ARNPFJALDSWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-7-3-4-9(11-2)8(5-7)6-10;/h3-5H,6,10H2,1-2H3;1H.
What are the key properties of (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride?
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 66876860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).