2-(3-methyl-5-phenylphenyl)propane-2-thiol

C16H18S — CID 167147962

IUPAC2-(3-methyl-5-phenylphenyl)propane-2-thiol
SMILESCc1cc(-c2ccccc2)cc(C(C)(C)S)c1
InChIInChI=1S/C16H18S/c1-12-9-14(13-7-5-4-6-8-13)11-15(10-12)16(2,3)17/h4-11,17H,1-3H3
InChIKeyUILMWYDGXGJJGR-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.83
Rot. Bonds2

About 2-(3-methyl-5-phenylphenyl)propane-2-thiol

2-(3-methyl-5-phenylphenyl)propane-2-thiol (PubChem CID 167147962) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylphenyl)propane-2-thiol.

Molecular Properties

Compound Name2-(3-methyl-5-phenylphenyl)propane-2-thiol
PubChem CID167147962
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name2-(3-methyl-5-phenylphenyl)propane-2-thiol
SMILESCc1cc(-c2ccccc2)cc(C(C)(C)S)c1
InChIInChI=1S/C16H18S/c1-12-9-14(13-7-5-4-6-8-13)11-15(10-12)16(2,3)17/h4-11,17H,1-3H3
InChIKeyUILMWYDGXGJJGR-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylphenyl)propane-2-thiol?
The IUPAC name of 2-(3-methyl-5-phenylphenyl)propane-2-thiol (CID 167147962) is 2-(3-methyl-5-phenylphenyl)propane-2-thiol.
What is the SMILES notation for 2-(3-methyl-5-phenylphenyl)propane-2-thiol?
The canonical SMILES for 2-(3-methyl-5-phenylphenyl)propane-2-thiol is Cc1cc(-c2ccccc2)cc(C(C)(C)S)c1.
What is the InChIKey of 2-(3-methyl-5-phenylphenyl)propane-2-thiol?
The InChIKey is UILMWYDGXGJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-12-9-14(13-7-5-4-6-8-13)11-15(10-12)16(2,3)17/h4-11,17H,1-3H3.
What are the key properties of 2-(3-methyl-5-phenylphenyl)propane-2-thiol?
2-(3-methyl-5-phenylphenyl)propane-2-thiol has a molecular weight of 242.39 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylphenyl)propane-2-thiol is sourced from PubChem (CID 167147962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).