2-methyl-1-(2-methylphenyl)propane-2-thiol

C11H16S — CID 10583708

IUPAC2-methyl-1-(2-methylphenyl)propane-2-thiol
SMILESCc1ccccc1CC(C)(C)S
InChIInChI=1S/C11H16S/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKeySSYPCMRPCAEGTE-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.25
Rot. Bonds2

About 2-methyl-1-(2-methylphenyl)propane-2-thiol

2-methyl-1-(2-methylphenyl)propane-2-thiol (PubChem CID 10583708) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)propane-2-thiol.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)propane-2-thiol
PubChem CID10583708
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name2-methyl-1-(2-methylphenyl)propane-2-thiol
SMILESCc1ccccc1CC(C)(C)S
InChIInChI=1S/C11H16S/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKeySSYPCMRPCAEGTE-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
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1-(2,2-dimethylbut-3-ynyl)-2-methylbenzene
CID 122240113
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
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2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
CID 154678326
CID 154678326
2-methyl-1-(2-propan-2-yloxyphenyl)propane-2-thiol
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2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)propane-2-thiol?
The IUPAC name of 2-methyl-1-(2-methylphenyl)propane-2-thiol (CID 10583708) is 2-methyl-1-(2-methylphenyl)propane-2-thiol.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)propane-2-thiol?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)propane-2-thiol is Cc1ccccc1CC(C)(C)S.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)propane-2-thiol?
The InChIKey is SSYPCMRPCAEGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)propane-2-thiol?
2-methyl-1-(2-methylphenyl)propane-2-thiol has a molecular weight of 180.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)propane-2-thiol is sourced from PubChem (CID 10583708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).