[3-(2-methylphenyl)sulfanylphenyl]methanamine

C14H15NS — CID 102818699

IUPAC[3-(2-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccccc1Sc1cccc(CN)c1
InChIInChI=1S/C14H15NS/c1-11-5-2-3-8-14(11)16-13-7-4-6-12(9-13)10-15/h2-9H,10,15H2,1H3
InChIKeyROLOXGJGGZRJBN-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.60
Rot. Bonds3

About [3-(2-methylphenyl)sulfanylphenyl]methanamine

[3-(2-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 102818699) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is [3-(2-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylphenyl)sulfanylphenyl]methanamine
PubChem CID102818699
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name[3-(2-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccccc1Sc1cccc(CN)c1
InChIInChI=1S/C14H15NS/c1-11-5-2-3-8-14(11)16-13-7-4-6-12(9-13)10-15/h2-9H,10,15H2,1H3
InChIKeyROLOXGJGGZRJBN-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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Related Compounds

[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
3-(2-methylphenyl)sulfanylthiophene
CID 10330634
(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
CID 55238363
2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616
[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 114884661
[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528941

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-(2-methylphenyl)sulfanylphenyl]methanamine (CID 102818699) is [3-(2-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-(2-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-(2-methylphenyl)sulfanylphenyl]methanamine is Cc1ccccc1Sc1cccc(CN)c1.
What is the InChIKey of [3-(2-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is ROLOXGJGGZRJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-11-5-2-3-8-14(11)16-13-7-4-6-12(9-13)10-15/h2-9H,10,15H2,1H3.
What are the key properties of [3-(2-methylphenyl)sulfanylphenyl]methanamine?
[3-(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 [3-(2-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 102818699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).