2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol

C13H20S — CID 116866612

IUPAC2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol
SMILESCc1ccc(C(C)C)cc1C(C)(C)S
InChIInChI=1S/C13H20S/c1-9(2)11-7-6-10(3)12(8-11)13(4,5)14/h6-9,14H,1-5H3
InChIKeyIOGPOMYEAWGPHJ-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.28
Rot. Bonds2

About 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol

2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol (PubChem CID 116866612) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol
PubChem CID116866612
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol
SMILESCc1ccc(C(C)C)cc1C(C)(C)S
InChIInChI=1S/C13H20S/c1-9(2)11-7-6-10(3)12(8-11)13(4,5)14/h6-9,14H,1-5H3
InChIKeyIOGPOMYEAWGPHJ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.28
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

2-(1,1-difluoro-2-methylpropyl)-1-methyl-4-propan-2-ylbenzene
CID 116841440
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 82476446
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
2-tert-butyl-4-propan-2-ylphenol
CID 24240
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
CID 115166849
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol (CID 116866612) is 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol is Cc1ccc(C(C)C)cc1C(C)(C)S.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol?
The InChIKey is IOGPOMYEAWGPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-9(2)11-7-6-10(3)12(8-11)13(4,5)14/h6-9,14H,1-5H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol?
2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol has a molecular weight of 208.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol is sourced from PubChem (CID 116866612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).