(5-methyl-2-methylsulfanylphenyl)methanamine

C9H13NS — CID 66876861

IUPAC(5-methyl-2-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C)cc1CN
InChIInChI=1S/C9H13NS/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,6,10H2,1-2H3
InChIKeyNUCBUYCAZJBCPU-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.18
Rot. Bonds2

About (5-methyl-2-methylsulfanylphenyl)methanamine

(5-methyl-2-methylsulfanylphenyl)methanamine (PubChem CID 66876861) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (5-methyl-2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(5-methyl-2-methylsulfanylphenyl)methanamine
PubChem CID66876861
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(5-methyl-2-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C)cc1CN
InChIInChI=1S/C9H13NS/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,6,10H2,1-2H3
InChIKeyNUCBUYCAZJBCPU-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-methylsulfanylphenyl)methanamine?
The IUPAC name of (5-methyl-2-methylsulfanylphenyl)methanamine (CID 66876861) is (5-methyl-2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (5-methyl-2-methylsulfanylphenyl)methanamine?
The canonical SMILES for (5-methyl-2-methylsulfanylphenyl)methanamine is CSc1ccc(C)cc1CN.
What is the InChIKey of (5-methyl-2-methylsulfanylphenyl)methanamine?
The InChIKey is NUCBUYCAZJBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,6,10H2,1-2H3.
What are the key properties of (5-methyl-2-methylsulfanylphenyl)methanamine?
(5-methyl-2-methylsulfanylphenyl)methanamine has a molecular weight of 167.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 66876861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).