(4-phenylsulfanylphenyl)methanamine

C13H13NS — CID 12842469

IUPAC(4-phenylsulfanylphenyl)methanamine
SMILESNCc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C13H13NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKeyOEDXLXUXHSCZKP-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.30
Rot. Bonds3

About (4-phenylsulfanylphenyl)methanamine

(4-phenylsulfanylphenyl)methanamine (PubChem CID 12842469) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is (4-phenylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-phenylsulfanylphenyl)methanamine
PubChem CID12842469
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name(4-phenylsulfanylphenyl)methanamine
SMILESNCc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C13H13NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKeyOEDXLXUXHSCZKP-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenylsulfanylphenyl)methanamine?
The IUPAC name of (4-phenylsulfanylphenyl)methanamine (CID 12842469) is (4-phenylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-phenylsulfanylphenyl)methanamine?
The canonical SMILES for (4-phenylsulfanylphenyl)methanamine is NCc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of (4-phenylsulfanylphenyl)methanamine?
The InChIKey is OEDXLXUXHSCZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2.
What are the key properties of (4-phenylsulfanylphenyl)methanamine?
(4-phenylsulfanylphenyl)methanamine has a molecular weight of 215.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylsulfanylphenyl)methanamine is sourced from PubChem (CID 12842469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).