1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene

C16H18O2S4 — CID 54464789

IUPAC1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene
SMILESCCOc1ccc(SSSSc2ccc(OCC)cc2)cc1
InChIInChI=1S/C16H18O2S4/c1-3-17-13-5-9-15(10-6-13)19-21-22-20-16-11-7-14(8-12-16)18-4-2/h5-12H,3-4H2,1-2H3
InChIKeyXEBRAVKNFHSFNR-UHFFFAOYSA-N
MW370.59 g/mol
LogP6.58
Rot. Bonds9

About 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene

1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene (PubChem CID 54464789) has the molecular formula C16H18O2S4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene
PubChem CID54464789
Molecular FormulaC16H18O2S4
Molecular Weight370.59 g/mol
Exact Mass370.02
IUPAC Name1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene
SMILESCCOc1ccc(SSSSc2ccc(OCC)cc2)cc1
InChIInChI=1S/C16H18O2S4/c1-3-17-13-5-9-15(10-6-13)19-21-22-20-16-11-7-14(8-12-16)18-4-2/h5-12H,3-4H2,1-2H3
InChIKeyXEBRAVKNFHSFNR-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

S-(4-ethoxyphenyl)thiohydroxylamine
CID 117033765
1-ethoxy-4-methoxysulfanylbenzene
CID 117035958
S-(4-ethoxyphenyl) methanethioate
CID 117033675
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
N-[(4-ethoxyphenyl)sulfanylmethyl]propan-2-amine
CID 117032918
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
1-[bromo-(4-ethoxyphenyl)methyl]-4-methylsulfanylbenzene
CID 79217159
1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene
CID 19865481
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
1-(2,2-diethoxyethoxy)-4-ethoxybenzene
CID 63629434

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene?
The IUPAC name of 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene (CID 54464789) is 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene?
The canonical SMILES for 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene is CCOc1ccc(SSSSc2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene?
The InChIKey is XEBRAVKNFHSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S4/c1-3-17-13-5-9-15(10-6-13)19-21-22-20-16-11-7-14(8-12-16)18-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene?
1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene has a molecular weight of 370.59 g/mol, XLogP of 6.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene is sourced from PubChem (CID 54464789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).