2-(3-methoxyphenyl)propane-1-thiol

C10H14OS — CID 20523012

IUPAC2-(3-methoxyphenyl)propane-1-thiol
SMILESCOc1cccc(C(C)CS)c1
InChIInChI=1S/C10H14OS/c1-8(7-12)9-4-3-5-10(6-9)11-2/h3-6,8,12H,7H2,1-2H3
InChIKeyRUKBSMXRHSDUCJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-methoxyphenyl)propane-1-thiol

2-(3-methoxyphenyl)propane-1-thiol (PubChem CID 20523012) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)propane-1-thiol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)propane-1-thiol
PubChem CID20523012
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-(3-methoxyphenyl)propane-1-thiol
SMILESCOc1cccc(C(C)CS)c1
InChIInChI=1S/C10H14OS/c1-8(7-12)9-4-3-5-10(6-9)11-2/h3-6,8,12H,7H2,1-2H3
InChIKeyRUKBSMXRHSDUCJ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
2-(3-methoxyphenyl)propyl formate
CID 91471144
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
2-(3-bromophenyl)propane-1-thiol
CID 115038075
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)propane-1-thiol?
The IUPAC name of 2-(3-methoxyphenyl)propane-1-thiol (CID 20523012) is 2-(3-methoxyphenyl)propane-1-thiol.
What is the SMILES notation for 2-(3-methoxyphenyl)propane-1-thiol?
The canonical SMILES for 2-(3-methoxyphenyl)propane-1-thiol is COc1cccc(C(C)CS)c1.
What is the InChIKey of 2-(3-methoxyphenyl)propane-1-thiol?
The InChIKey is RUKBSMXRHSDUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8(7-12)9-4-3-5-10(6-9)11-2/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)propane-1-thiol?
2-(3-methoxyphenyl)propane-1-thiol has a molecular weight of 182.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)propane-1-thiol is sourced from PubChem (CID 20523012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).