5-methyl-2-phenylbenzenethiol

C13H12S — CID 15805257

IUPAC5-methyl-2-phenylbenzenethiol
SMILESCc1ccc(-c2ccccc2)c(S)c1
InChIInChI=1S/C13H12S/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyNKKPIJLIWYDQCO-UHFFFAOYSA-N
MW200.31 g/mol
LogP3.95
Rot. Bonds1

About 5-methyl-2-phenylbenzenethiol

5-methyl-2-phenylbenzenethiol (PubChem CID 15805257) has the molecular formula C13H12S and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-methyl-2-phenylbenzenethiol.

Molecular Properties

Compound Name5-methyl-2-phenylbenzenethiol
PubChem CID15805257
Molecular FormulaC13H12S
Molecular Weight200.31 g/mol
Exact Mass200.07
IUPAC Name5-methyl-2-phenylbenzenethiol
SMILESCc1ccc(-c2ccccc2)c(S)c1
InChIInChI=1S/C13H12S/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyNKKPIJLIWYDQCO-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 53.95
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

4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
benzene;4-methylbenzene-1,2-dithiol
CID 174679566
2-(2-aminophenyl)-5-methylbenzenethiol
CID 174659757
5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline
CID 18332092
sodium;hydride;2-(4-methylphenyl)benzenethiol
CID 175197737
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
2-(4-methyl-2-phenylphenyl)phenol
CID 11368967
2-(2,3-dimethylphenyl)-5-methylbenzenethiol
CID 122678033
4-methyl-2-phenyl-1-(trifluoromethyl)benzene
CID 46315075
4-methylbenzenesulfonic acid;2-methyl-3,4-diphenylbenzenethiol
CID 173224580
3-phenylnaphthalene-2-thiol
CID 91804304

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylbenzenethiol?
The IUPAC name of 5-methyl-2-phenylbenzenethiol (CID 15805257) is 5-methyl-2-phenylbenzenethiol.
What is the SMILES notation for 5-methyl-2-phenylbenzenethiol?
The canonical SMILES for 5-methyl-2-phenylbenzenethiol is Cc1ccc(-c2ccccc2)c(S)c1.
What is the InChIKey of 5-methyl-2-phenylbenzenethiol?
The InChIKey is NKKPIJLIWYDQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 5-methyl-2-phenylbenzenethiol?
5-methyl-2-phenylbenzenethiol has a molecular weight of 200.31 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylbenzenethiol is sourced from PubChem (CID 15805257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).