[4-(2-phenylethyl)phenyl]methanethiol

C15H16S — CID 88715402

IUPAC[4-(2-phenylethyl)phenyl]methanethiol
SMILESSCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C15H16S/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16H,6-7,12H2
InChIKeyHZVWYRNRMVOLAG-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.90
Rot. Bonds4

About [4-(2-phenylethyl)phenyl]methanethiol

[4-(2-phenylethyl)phenyl]methanethiol (PubChem CID 88715402) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is [4-(2-phenylethyl)phenyl]methanethiol.

Molecular Properties

Compound Name[4-(2-phenylethyl)phenyl]methanethiol
PubChem CID88715402
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name[4-(2-phenylethyl)phenyl]methanethiol
SMILESSCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C15H16S/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16H,6-7,12H2
InChIKeyHZVWYRNRMVOLAG-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.90
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

benzene;2-phenylethylbenzene
CID 18982764
phenylmethanethiol;propane
CID 156646136
1,1'-biphenyl;phenylmethanethiol
CID 172707526
hafnium;2-phenylethylbenzene
CID 173109801
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
1,4-bis(3-phenylpropyl)benzene
CID 59467322
ethane;methane;2-phenylethylbenzene
CID 158652330
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
4-phenylbutylbenzene
CID 141301927
4-(2-phenylethyl)benzamide
CID 23130460
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)phenyl]methanethiol?
The IUPAC name of [4-(2-phenylethyl)phenyl]methanethiol (CID 88715402) is [4-(2-phenylethyl)phenyl]methanethiol.
What is the SMILES notation for [4-(2-phenylethyl)phenyl]methanethiol?
The canonical SMILES for [4-(2-phenylethyl)phenyl]methanethiol is SCc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of [4-(2-phenylethyl)phenyl]methanethiol?
The InChIKey is HZVWYRNRMVOLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16H,6-7,12H2.
What are the key properties of [4-(2-phenylethyl)phenyl]methanethiol?
[4-(2-phenylethyl)phenyl]methanethiol has a molecular weight of 228.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)phenyl]methanethiol is sourced from PubChem (CID 88715402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).