4-[(4-ethylphenyl)methylsulfanyl]benzenethiol

C15H16S2 — CID 59131549

IUPAC4-[(4-ethylphenyl)methylsulfanyl]benzenethiol
SMILESCCc1ccc(CSc2ccc(S)cc2)cc1
InChIInChI=1S/C15H16S2/c1-2-12-3-5-13(6-4-12)11-17-15-9-7-14(16)8-10-15/h3-10,16H,2,11H2,1H3
InChIKeyBKTQGKBMEOFZKF-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.83
Rot. Bonds4

About 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol

4-[(4-ethylphenyl)methylsulfanyl]benzenethiol (PubChem CID 59131549) has the molecular formula C15H16S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methylsulfanyl]benzenethiol
PubChem CID59131549
Molecular FormulaC15H16S2
Molecular Weight260.43 g/mol
Exact Mass260.07
IUPAC Name4-[(4-ethylphenyl)methylsulfanyl]benzenethiol
SMILESCCc1ccc(CSc2ccc(S)cc2)cc1
InChIInChI=1S/C15H16S2/c1-2-12-3-5-13(6-4-12)11-17-15-9-7-14(16)8-10-15/h3-10,16H,2,11H2,1H3
InChIKeyBKTQGKBMEOFZKF-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylbenzenethiol;trihydrofluoride
CID 173110681
1-(chloromethylsulfanyl)-4-ethylbenzene
CID 91880557
1-(4-decylsulfanylphenyl)-4-[(4-ethylphenyl)methylsulfanyl]benzene
CID 70387317
1-(2,2-dimethoxyethylsulfanyl)-4-ethylbenzene
CID 67157111
1-ethyl-4-methylsulfanylbenzene
CID 142218139
4-pentylsulfanylbenzenethiol
CID 69215525
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 43530260
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
6-ethylnaphthalene-2-thiol
CID 139481477
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
ethyl 4-[(4-methylphenyl)sulfanylmethyl]benzoate
CID 14927153

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol?
The IUPAC name of 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol (CID 59131549) is 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol.
What is the SMILES notation for 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol?
The canonical SMILES for 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol is CCc1ccc(CSc2ccc(S)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol?
The InChIKey is BKTQGKBMEOFZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S2/c1-2-12-3-5-13(6-4-12)11-17-15-9-7-14(16)8-10-15/h3-10,16H,2,11H2,1H3.
What are the key properties of 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol?
4-[(4-ethylphenyl)methylsulfanyl]benzenethiol has a molecular weight of 260.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methylsulfanyl]benzenethiol is sourced from PubChem (CID 59131549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).