N-methyl-3-methylsulfanylaniline;hydrochloride

C8H12ClNS — CID 86182587

IUPACN-methyl-3-methylsulfanylaniline;hydrochloride
SMILESCNc1cccc(SC)c1.Cl
InChIInChI=1S/C8H11NS.ClH/c1-9-7-4-3-5-8(6-7)10-2;/h3-6,9H,1-2H3;1H
InChIKeyICKJYYAUSIEUGQ-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.87
Rot. Bonds2

About N-methyl-3-methylsulfanylaniline;hydrochloride

N-methyl-3-methylsulfanylaniline;hydrochloride (PubChem CID 86182587) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is N-methyl-3-methylsulfanylaniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-methylsulfanylaniline;hydrochloride
PubChem CID86182587
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC NameN-methyl-3-methylsulfanylaniline;hydrochloride
SMILESCNc1cccc(SC)c1.Cl
InChIInChI=1S/C8H11NS.ClH/c1-9-7-4-3-5-8(6-7)10-2;/h3-6,9H,1-2H3;1H
InChIKeyICKJYYAUSIEUGQ-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanylaniline;hydrochloride?
The IUPAC name of N-methyl-3-methylsulfanylaniline;hydrochloride (CID 86182587) is N-methyl-3-methylsulfanylaniline;hydrochloride.
What is the SMILES notation for N-methyl-3-methylsulfanylaniline;hydrochloride?
The canonical SMILES for N-methyl-3-methylsulfanylaniline;hydrochloride is CNc1cccc(SC)c1.Cl.
What is the InChIKey of N-methyl-3-methylsulfanylaniline;hydrochloride?
The InChIKey is ICKJYYAUSIEUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-9-7-4-3-5-8(6-7)10-2;/h3-6,9H,1-2H3;1H.
What are the key properties of N-methyl-3-methylsulfanylaniline;hydrochloride?
N-methyl-3-methylsulfanylaniline;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanylaniline;hydrochloride is sourced from PubChem (CID 86182587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).