2-(3-methylphenyl)sulfanylpropan-2-ol

C10H14OS — CID 117034561

IUPAC2-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cccc(SC(C)(C)O)c1
InChIInChI=1S/C10H14OS/c1-8-5-4-6-9(7-8)12-10(2,3)11/h4-7,11H,1-3H3
InChIKeyCUKIDJYFDKELAB-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.82
Rot. Bonds2

About 2-(3-methylphenyl)sulfanylpropan-2-ol

2-(3-methylphenyl)sulfanylpropan-2-ol (PubChem CID 117034561) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanylpropan-2-ol
PubChem CID117034561
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cccc(SC(C)(C)O)c1
InChIInChI=1S/C10H14OS/c1-8-5-4-6-9(7-8)12-10(2,3)11/h4-7,11H,1-3H3
InChIKeyCUKIDJYFDKELAB-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol
CID 10633710
1-(2,3-dimethylbut-3-en-2-ylsulfanyl)-3-methylbenzene;ethane
CID 90837156
boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
CID 158144841
S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
CID 173046661
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
trimethyl-(3-methylphenyl)sulfanylsilane
CID 12755162
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one
CID 92922974
(3-methylphenyl)sulfanylhydrazine
CID 117036019
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
[dihydroxy-(3-methylphenyl)methyl]sulfanyl-(3-methylphenyl)methanediol
CID 150288864
ethane;methanol;1,3-xylene
CID 156743127

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 2-(3-methylphenyl)sulfanylpropan-2-ol (CID 117034561) is 2-(3-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 2-(3-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 2-(3-methylphenyl)sulfanylpropan-2-ol is Cc1cccc(SC(C)(C)O)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is CUKIDJYFDKELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8-5-4-6-9(7-8)12-10(2,3)11/h4-7,11H,1-3H3.
What are the key properties of 2-(3-methylphenyl)sulfanylpropan-2-ol?
2-(3-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 182.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 117034561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).