(3-ethyl-4-methoxyphenyl)methanethiol

C10H14OS — CID 82125341

IUPAC(3-ethyl-4-methoxyphenyl)methanethiol
SMILESCCc1cc(CS)ccc1OC
InChIInChI=1S/C10H14OS/c1-3-9-6-8(7-12)4-5-10(9)11-2/h4-6,12H,3,7H2,1-2H3
InChIKeyABYNVAVLPMZZDK-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.69
Rot. Bonds3

About (3-ethyl-4-methoxyphenyl)methanethiol

(3-ethyl-4-methoxyphenyl)methanethiol (PubChem CID 82125341) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (3-ethyl-4-methoxyphenyl)methanethiol.

Molecular Properties

Compound Name(3-ethyl-4-methoxyphenyl)methanethiol
PubChem CID82125341
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(3-ethyl-4-methoxyphenyl)methanethiol
SMILESCCc1cc(CS)ccc1OC
InChIInChI=1S/C10H14OS/c1-3-9-6-8(7-12)4-5-10(9)11-2/h4-6,12H,3,7H2,1-2H3
InChIKeyABYNVAVLPMZZDK-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
CID 112513153
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172
(5-benzyl-2-methoxyphenyl)methanethiol
CID 170413203
2-[(3-ethyl-4-methoxyphenyl)methyl]butanenitrile
CID 116931524
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
CID 66642899

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methoxyphenyl)methanethiol?
The IUPAC name of (3-ethyl-4-methoxyphenyl)methanethiol (CID 82125341) is (3-ethyl-4-methoxyphenyl)methanethiol.
What is the SMILES notation for (3-ethyl-4-methoxyphenyl)methanethiol?
The canonical SMILES for (3-ethyl-4-methoxyphenyl)methanethiol is CCc1cc(CS)ccc1OC.
What is the InChIKey of (3-ethyl-4-methoxyphenyl)methanethiol?
The InChIKey is ABYNVAVLPMZZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-9-6-8(7-12)4-5-10(9)11-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of (3-ethyl-4-methoxyphenyl)methanethiol?
(3-ethyl-4-methoxyphenyl)methanethiol has a molecular weight of 182.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methoxyphenyl)methanethiol is sourced from PubChem (CID 82125341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).