[2-(2-methylphenyl)sulfanylphenyl]methanamine

C14H15NS — CID 18676228

IUPAC[2-(2-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccccc1Sc1ccccc1CN
InChIInChI=1S/C14H15NS/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3
InChIKeyCGBSXMIZWLICSP-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.60
Rot. Bonds3

About [2-(2-methylphenyl)sulfanylphenyl]methanamine

[2-(2-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 18676228) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is [2-(2-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)sulfanylphenyl]methanamine
PubChem CID18676228
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name[2-(2-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccccc1Sc1ccccc1CN
InChIInChI=1S/C14H15NS/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3
InChIKeyCGBSXMIZWLICSP-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-(2-methylphenyl)sulfanylphenyl]methanamine (CID 18676228) is [2-(2-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)sulfanylphenyl]methanamine is Cc1ccccc1Sc1ccccc1CN.
What is the InChIKey of [2-(2-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is CGBSXMIZWLICSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3.
What are the key properties of [2-(2-methylphenyl)sulfanylphenyl]methanamine?
[2-(2-methylphenyl)sulfanylphenyl]methanamine has a molecular weight of 229.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 18676228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).