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

C11H16OS — CID 60878424

IUPAC2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(C)(C)O
InChIInChI=1S/C11H16OS/c1-9-6-4-5-7-10(9)13-8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKeyQRDXDGQIIPFHHA-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.86
Rot. Bonds3

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

2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 60878424) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID60878424
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(C)(C)O
InChIInChI=1S/C11H16OS/c1-9-6-4-5-7-10(9)13-8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKeyQRDXDGQIIPFHHA-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-amino-3-(2-methylphenyl)sulfanyl-2-phenylpropan-2-ol
CID 64813417
3-[2-[2-(3-hydroxy-2,2-dimethylpropyl)sulfanyl-6-methylphenyl]-3-methylphenyl]sulfanyl-2,2-dimethylpropan-1-ol
CID 139688649
2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
CID 116852358
1-(2-amino-3-methylphenyl)sulfanyl-2-methylbutan-2-ol
CID 114494332
1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
CID 64807687
6,6-dimethyl-1-(2-methylphenyl)sulfanylheptan-2-one
CID 114209828
2-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-2-amine
CID 62576594
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
1-(3-bromopropylsulfanyl)-2-methylbenzene
CID 60891790
1-(2,2-dimethoxyethylsulfanyl)-2-methylbenzene
CID 66221073
1-[(E)-but-2-enyl]sulfanyl-2-methylbenzene
CID 6174303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol (CID 60878424) is 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol is Cc1ccccc1SCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is QRDXDGQIIPFHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-6-4-5-7-10(9)13-8-11(2,3)12/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol?
2-methyl-1-(2-methylphenyl)sulfanylpropan-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 2-methyl-1-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 60878424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).