3-(4-methylphenyl)sulfanylbutan-2-ol

C11H16OS — CID 14194463

IUPAC3-(4-methylphenyl)sulfanylbutan-2-ol
SMILESCc1ccc(SC(C)C(C)O)cc1
InChIInChI=1S/C11H16OS/c1-8-4-6-11(7-5-8)13-10(3)9(2)12/h4-7,9-10,12H,1-3H3
InChIKeyVMXMURBNNKOYQG-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.86
Rot. Bonds3

About 3-(4-methylphenyl)sulfanylbutan-2-ol

3-(4-methylphenyl)sulfanylbutan-2-ol (PubChem CID 14194463) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanylbutan-2-ol
PubChem CID14194463
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name3-(4-methylphenyl)sulfanylbutan-2-ol
SMILESCc1ccc(SC(C)C(C)O)cc1
InChIInChI=1S/C11H16OS/c1-8-4-6-11(7-5-8)13-10(3)9(2)12/h4-7,9-10,12H,1-3H3
InChIKeyVMXMURBNNKOYQG-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene
CID 10024575
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094
N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
CID 64620449
2,2-difluoro-1-(4-methylphenyl)sulfanylethanol
CID 175591763
1-(4-methylphenyl)sulfanylethane-1,2-diol
CID 71411750
3-[4-(difluoromethylsulfonyl)phenyl]sulfanylbutan-2-ol
CID 113347581
1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpropan-2-ol
CID 10088396
3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771098
bis[(4-methylphenyl)sulfanyl]methylsilane
CID 175428448
2-(3-hydroxybutan-2-ylsulfanyl)-4-methylbenzonitrile
CID 107770612
2-(3-hydroxybutan-2-ylsulfanyl)-5-methylbenzonitrile
CID 107931026

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanylbutan-2-ol?
The IUPAC name of 3-(4-methylphenyl)sulfanylbutan-2-ol (CID 14194463) is 3-(4-methylphenyl)sulfanylbutan-2-ol.
What is the SMILES notation for 3-(4-methylphenyl)sulfanylbutan-2-ol?
The canonical SMILES for 3-(4-methylphenyl)sulfanylbutan-2-ol is Cc1ccc(SC(C)C(C)O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanylbutan-2-ol?
The InChIKey is VMXMURBNNKOYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-4-6-11(7-5-8)13-10(3)9(2)12/h4-7,9-10,12H,1-3H3.
What are the key properties of 3-(4-methylphenyl)sulfanylbutan-2-ol?
3-(4-methylphenyl)sulfanylbutan-2-ol has a molecular weight of 196.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 14194463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).