1-(4-methylphenyl)sulfanylpropan-2-ol

C10H14OS — CID 12061426

IUPAC1-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(C)O)cc1
InChIInChI=1S/C10H14OS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKeyFANVFKWSVAZDQV-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-methylphenyl)sulfanylpropan-2-ol

1-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 12061426) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID12061426
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(C)O)cc1
InChIInChI=1S/C10H14OS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKeyFANVFKWSVAZDQV-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)sulfanylpropan-2-ol (CID 12061426) is 1-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(C)O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is FANVFKWSVAZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfanylpropan-2-ol?
1-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 182.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 12061426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).