1-(4-methoxyphenyl)propane-2-thiol

C10H14OS — CID 63272833

IUPAC1-(4-methoxyphenyl)propane-2-thiol
SMILESCOc1ccc(CC(C)S)cc1
InChIInChI=1S/C10H14OS/c1-8(12)7-9-3-5-10(11-2)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyGRMRAMOBAWMAAL-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-methoxyphenyl)propane-2-thiol

1-(4-methoxyphenyl)propane-2-thiol (PubChem CID 63272833) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)propane-2-thiol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)propane-2-thiol
PubChem CID63272833
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(4-methoxyphenyl)propane-2-thiol
SMILESCOc1ccc(CC(C)S)cc1
InChIInChI=1S/C10H14OS/c1-8(12)7-9-3-5-10(11-2)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyGRMRAMOBAWMAAL-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-(4-methoxyphenyl)-3-[4-(2-sulfanylpropyl)phenyl]urea
CID 137474747
1,3-bis(4-methoxyphenyl)propane-1,2-dithiol
CID 159169861
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
1-(2-chloro-4-methylpentyl)-4-methoxybenzene
CID 63017578
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)propane-2-thiol?
The IUPAC name of 1-(4-methoxyphenyl)propane-2-thiol (CID 63272833) is 1-(4-methoxyphenyl)propane-2-thiol.
What is the SMILES notation for 1-(4-methoxyphenyl)propane-2-thiol?
The canonical SMILES for 1-(4-methoxyphenyl)propane-2-thiol is COc1ccc(CC(C)S)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)propane-2-thiol?
The InChIKey is GRMRAMOBAWMAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8(12)7-9-3-5-10(11-2)6-4-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)propane-2-thiol?
1-(4-methoxyphenyl)propane-2-thiol has a molecular weight of 182.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)propane-2-thiol is sourced from PubChem (CID 63272833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).