4-methyl-2-(1-phenylethyl)benzenethiol

C15H16S — CID 24822888

IUPAC4-methyl-2-(1-phenylethyl)benzenethiol
SMILESCc1ccc(S)c(C(C)c2ccccc2)c1
InChIInChI=1S/C15H16S/c1-11-8-9-15(16)14(10-11)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3
InChIKeyZRZLJOZHTNLTGJ-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.44
Rot. Bonds2

About 4-methyl-2-(1-phenylethyl)benzenethiol

4-methyl-2-(1-phenylethyl)benzenethiol (PubChem CID 24822888) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-methyl-2-(1-phenylethyl)benzenethiol.

Molecular Properties

Compound Name4-methyl-2-(1-phenylethyl)benzenethiol
PubChem CID24822888
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name4-methyl-2-(1-phenylethyl)benzenethiol
SMILESCc1ccc(S)c(C(C)c2ccccc2)c1
InChIInChI=1S/C15H16S/c1-11-8-9-15(16)14(10-11)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3
InChIKeyZRZLJOZHTNLTGJ-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.44
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-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
4-methyl-2-phenyl-1-(1-phenylethyl)benzene
CID 123164572
2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium
CID 139240981
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
benzene;4-methylbenzene-1,2-dithiol
CID 174679566
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 11331952
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
CID 143650226
4,5-dimethyl-1,3-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-2H-imidazole
CID 178184490
4-methyl-2-[1-(4-methylphenyl)ethyl]aniline
CID 86084630
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-phenylethyl)benzenethiol?
The IUPAC name of 4-methyl-2-(1-phenylethyl)benzenethiol (CID 24822888) is 4-methyl-2-(1-phenylethyl)benzenethiol.
What is the SMILES notation for 4-methyl-2-(1-phenylethyl)benzenethiol?
The canonical SMILES for 4-methyl-2-(1-phenylethyl)benzenethiol is Cc1ccc(S)c(C(C)c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-(1-phenylethyl)benzenethiol?
The InChIKey is ZRZLJOZHTNLTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-11-8-9-15(16)14(10-11)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3.
What are the key properties of 4-methyl-2-(1-phenylethyl)benzenethiol?
4-methyl-2-(1-phenylethyl)benzenethiol has a molecular weight of 228.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-phenylethyl)benzenethiol is sourced from PubChem (CID 24822888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).