1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene

C16H18S2 — CID 4026825

IUPAC1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene
SMILESCCSc1ccc(-c2ccc(SCC)cc2)cc1
InChIInChI=1S/C16H18S2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChIKeyJGXMNYLRFCYSJM-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.58
Rot. Bonds5

About 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene

1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene (PubChem CID 4026825) has the molecular formula C16H18S2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene
PubChem CID4026825
Molecular FormulaC16H18S2
Molecular Weight274.45 g/mol
Exact Mass274.08
IUPAC Name1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene
SMILESCCSc1ccc(-c2ccc(SCC)cc2)cc1
InChIInChI=1S/C16H18S2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChIKeyJGXMNYLRFCYSJM-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene?
The IUPAC name of 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene (CID 4026825) is 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene?
The canonical SMILES for 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene is CCSc1ccc(-c2ccc(SCC)cc2)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene?
The InChIKey is JGXMNYLRFCYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene?
1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene has a molecular weight of 274.45 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene is sourced from PubChem (CID 4026825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).