4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol

C14H12S2 — CID 19977316

IUPAC4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol
SMILESSc1ccc(/C=C/c2ccc(S)cc2)cc1
InChIInChI=1S/C14H12S2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+
InChIKeyFOYJDMJLWTYTCC-OWOJBTEDSA-N
MW244.38 g/mol
LogP4.43
Rot. Bonds2

About 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol

4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol (PubChem CID 19977316) has the molecular formula C14H12S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol.

Molecular Properties

Compound Name4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol
PubChem CID19977316
Molecular FormulaC14H12S2
Molecular Weight244.38 g/mol
Exact Mass244.04
IUPAC Name4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol
SMILESSc1ccc(/C=C/c2ccc(S)cc2)cc1
InChIInChI=1S/C14H12S2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+
InChIKeyFOYJDMJLWTYTCC-OWOJBTEDSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Thiocresol
CID 8712
Dibenzyl Disulfide
CID 9012
2-Naphthalenethiol
CID 7058
4-Methylbenzenethiol
CID 7811
Toluene-3,4-dithiol
CID 10334
3-Thiocresol
CID 7930
Trisulfide, bis(phenylmethyl)
CID 122842
4-Tert-Butylbenzenethiol
CID 75454
2-Ethylbenzenethiol
CID 3734338
Bis(2-methylphenyl) disulfide
CID 77652
Disulfide, bis(4-methylphenyl)
CID 66027
2,4-Dimethylbenzenethiol
CID 83617

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol?
The IUPAC name of 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol (CID 19977316) is 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol.
What is the SMILES notation for 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol?
The canonical SMILES for 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol is Sc1ccc(/C=C/c2ccc(S)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol?
The InChIKey is FOYJDMJLWTYTCC-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12S2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+.
What are the key properties of 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol?
4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol has a molecular weight of 244.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol is sourced from PubChem (CID 19977316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).