4-(4-methylphenyl)sulfanylbutan-2-ol

C11H16OS — CID 10352661

IUPAC4-(4-methylphenyl)sulfanylbutan-2-ol
SMILESCc1ccc(SCCC(C)O)cc1
InChIInChI=1S/C11H16OS/c1-9-3-5-11(6-4-9)13-8-7-10(2)12/h3-6,10,12H,7-8H2,1-2H3
InChIKeyYOXIODUVKDVQQT-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.86
Rot. Bonds4

About 4-(4-methylphenyl)sulfanylbutan-2-ol

4-(4-methylphenyl)sulfanylbutan-2-ol (PubChem CID 10352661) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfanylbutan-2-ol
PubChem CID10352661
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name4-(4-methylphenyl)sulfanylbutan-2-ol
SMILESCc1ccc(SCCC(C)O)cc1
InChIInChI=1S/C11H16OS/c1-9-3-5-11(6-4-9)13-8-7-10(2)12/h3-6,10,12H,7-8H2,1-2H3
InChIKeyYOXIODUVKDVQQT-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfanylbutan-2-ol?
The IUPAC name of 4-(4-methylphenyl)sulfanylbutan-2-ol (CID 10352661) is 4-(4-methylphenyl)sulfanylbutan-2-ol.
What is the SMILES notation for 4-(4-methylphenyl)sulfanylbutan-2-ol?
The canonical SMILES for 4-(4-methylphenyl)sulfanylbutan-2-ol is Cc1ccc(SCCC(C)O)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfanylbutan-2-ol?
The InChIKey is YOXIODUVKDVQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-3-5-11(6-4-9)13-8-7-10(2)12/h3-6,10,12H,7-8H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)sulfanylbutan-2-ol?
4-(4-methylphenyl)sulfanylbutan-2-ol has a molecular weight of 196.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 10352661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).