(4-methylsulfanylphenyl)methanamine

C8H11NS — CID 2760080

IUPAC(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CN)cc1
InChIInChI=1S/C8H11NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
InChIKeySBMPBXFNKYJNIC-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.87
Rot. Bonds2

About (4-methylsulfanylphenyl)methanamine

(4-methylsulfanylphenyl)methanamine (PubChem CID 2760080) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)methanamine
PubChem CID2760080
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CN)cc1
InChIInChI=1S/C8H11NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
InChIKeySBMPBXFNKYJNIC-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)methanamine?
The IUPAC name of (4-methylsulfanylphenyl)methanamine (CID 2760080) is (4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (4-methylsulfanylphenyl)methanamine is CSc1ccc(CN)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)methanamine?
The InChIKey is SBMPBXFNKYJNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)methanamine?
(4-methylsulfanylphenyl)methanamine has a molecular weight of 153.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 2760080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).