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

C11H16OS — CID 116852358

IUPAC2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
SMILESCc1ccccc1SC(C)(C)CO
InChIInChI=1S/C11H16OS/c1-9-6-4-5-7-10(9)13-11(2,3)8-12/h4-7,12H,8H2,1-3H3
InChIKeyOQQAXGDVGGCCMI-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.86
Rot. Bonds3

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

2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol (PubChem CID 116852358) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
PubChem CID116852358
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
SMILESCc1ccccc1SC(C)(C)CO
InChIInChI=1S/C11H16OS/c1-9-6-4-5-7-10(9)13-11(2,3)8-12/h4-7,12H,8H2,1-3H3
InChIKeyOQQAXGDVGGCCMI-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

2-(2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 116852360
2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852285
2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol
CID 60878424
ethyl 2-methyl-2-(2-methylphenyl)sulfanylpropanoate;dihydrate
CID 143618447
2-amino-2-methyl-4-(2-methylphenyl)sulfanylpentan-1-ol
CID 64807682
2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine
CID 83107707
2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
CID 64807687
2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol
CID 64807876
3-[2-[2-(3-hydroxy-2,2-dimethylpropyl)sulfanyl-6-methylphenyl]-3-methylphenyl]sulfanyl-2,2-dimethylpropan-1-ol
CID 139688649
2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 130731567
(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol
CID 130130727
2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 130649322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol (CID 116852358) is 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol is Cc1ccccc1SC(C)(C)CO.
What is the InChIKey of 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol?
The InChIKey is OQQAXGDVGGCCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-6-4-5-7-10(9)13-11(2,3)8-12/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol?
2-methyl-2-(2-methylphenyl)sulfanylpropan-1-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 2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 116852358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).