[2-(4-chlorophenyl)sulfanylphenyl]methanamine

C13H12ClNS — CID 23741690

IUPAC[2-(4-chlorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8H,9,15H2
InChIKeyMSYRESWYJJMUQL-UHFFFAOYSA-N
MW249.77 g/mol
LogP3.95
Rot. Bonds3

About [2-(4-chlorophenyl)sulfanylphenyl]methanamine

[2-(4-chlorophenyl)sulfanylphenyl]methanamine (PubChem CID 23741690) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanylphenyl]methanamine
PubChem CID23741690
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name[2-(4-chlorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8H,9,15H2
InChIKeyMSYRESWYJJMUQL-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)sulfanylphenyl]methanamine (CID 23741690) is [2-(4-chlorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)sulfanylphenyl]methanamine is NCc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanylphenyl]methanamine?
The InChIKey is MSYRESWYJJMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8H,9,15H2.
What are the key properties of [2-(4-chlorophenyl)sulfanylphenyl]methanamine?
[2-(4-chlorophenyl)sulfanylphenyl]methanamine has a molecular weight of 249.77 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 23741690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).