(4-methylsulfanylphenyl)methanamine;hydrochloride

C8H12ClNS — CID 19734486

IUPAC(4-methylsulfanylphenyl)methanamine;hydrochloride
SMILESCSc1ccc(CN)cc1.Cl
InChIInChI=1S/C8H11NS.ClH/c1-10-8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H
InChIKeyIOPAFVRPLUTFGO-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.29
Rot. Bonds2

About (4-methylsulfanylphenyl)methanamine;hydrochloride

(4-methylsulfanylphenyl)methanamine;hydrochloride (PubChem CID 19734486) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)methanamine;hydrochloride
PubChem CID19734486
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name(4-methylsulfanylphenyl)methanamine;hydrochloride
SMILESCSc1ccc(CN)cc1.Cl
InChIInChI=1S/C8H11NS.ClH/c1-10-8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H
InChIKeyIOPAFVRPLUTFGO-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)methanamine;hydrochloride?
The IUPAC name of (4-methylsulfanylphenyl)methanamine;hydrochloride (CID 19734486) is (4-methylsulfanylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-methylsulfanylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-methylsulfanylphenyl)methanamine;hydrochloride is CSc1ccc(CN)cc1.Cl.
What is the InChIKey of (4-methylsulfanylphenyl)methanamine;hydrochloride?
The InChIKey is IOPAFVRPLUTFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-10-8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H.
What are the key properties of (4-methylsulfanylphenyl)methanamine;hydrochloride?
(4-methylsulfanylphenyl)methanamine;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19734486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).