(4-ethylsulfanylphenyl)methanamine

C9H13NS — CID 12842467

IUPAC(4-ethylsulfanylphenyl)methanamine
SMILESCCSc1ccc(CN)cc1
InChIInChI=1S/C9H13NS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKeyUBUPKYLDQOUBFF-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.26
Rot. Bonds3

About (4-ethylsulfanylphenyl)methanamine

(4-ethylsulfanylphenyl)methanamine (PubChem CID 12842467) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)methanamine
PubChem CID12842467
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4-ethylsulfanylphenyl)methanamine
SMILESCCSc1ccc(CN)cc1
InChIInChI=1S/C9H13NS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKeyUBUPKYLDQOUBFF-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine
CID 116928998
2-[(4-ethylsulfanylphenyl)methyl]butan-1-amine
CID 116930905
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 43530260
4-(4-ethylsulfanylphenyl)-3,3-dimethylbutan-1-amine
CID 116925153
ethyl 2-[4-(aminomethyl)phenyl]sulfanylacetate
CID 63808556
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(NZ)-N-[1-(4-ethylsulfanylphenyl)butan-2-ylidene]hydroxylamine
CID 44613926
1-ethylsulfanyl-4-prop-2-enylbenzene
CID 2758925
N'-[(4-ethylsulfanylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198540
1-chloro-4-ethylsulfanylbenzene
CID 5324154
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
1-ethylsulfanyl-4-(2-methoxyethyl)benzene
CID 134320195

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)methanamine?
The IUPAC name of (4-ethylsulfanylphenyl)methanamine (CID 12842467) is (4-ethylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-ethylsulfanylphenyl)methanamine?
The canonical SMILES for (4-ethylsulfanylphenyl)methanamine is CCSc1ccc(CN)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)methanamine?
The InChIKey is UBUPKYLDQOUBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3.
What are the key properties of (4-ethylsulfanylphenyl)methanamine?
(4-ethylsulfanylphenyl)methanamine has a molecular weight of 167.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)methanamine is sourced from PubChem (CID 12842467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).