(3-methylsulfanylphenyl)methanamine

C8H11NS — CID 26722446

IUPAC(3-methylsulfanylphenyl)methanamine
SMILESCSc1cccc(CN)c1
InChIInChI=1S/C8H11NS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChIKeyVOGFCUBKCHJNFT-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.87
Rot. Bonds2

About (3-methylsulfanylphenyl)methanamine

(3-methylsulfanylphenyl)methanamine (PubChem CID 26722446) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (3-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3-methylsulfanylphenyl)methanamine
PubChem CID26722446
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(3-methylsulfanylphenyl)methanamine
SMILESCSc1cccc(CN)c1
InChIInChI=1S/C8H11NS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChIKeyVOGFCUBKCHJNFT-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 (3-methylsulfanylphenyl)methanamine?
The IUPAC name of (3-methylsulfanylphenyl)methanamine (CID 26722446) is (3-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (3-methylsulfanylphenyl)methanamine?
The canonical SMILES for (3-methylsulfanylphenyl)methanamine is CSc1cccc(CN)c1.
What is the InChIKey of (3-methylsulfanylphenyl)methanamine?
The InChIKey is VOGFCUBKCHJNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3.
What are the key properties of (3-methylsulfanylphenyl)methanamine?
(3-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 (3-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 26722446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).