1-(1-phenylethyltetrasulfanyl)ethylbenzene

C16H18S4 — CID 71330817

IUPAC1-(1-phenylethyltetrasulfanyl)ethylbenzene
SMILESCC(SSSSC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18S4/c1-13(15-9-5-3-6-10-15)17-19-20-18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyRNWYLVZFTJZPQQ-UHFFFAOYSA-N
MW338.59 g/mol
LogP7.19
Rot. Bonds7

About 1-(1-phenylethyltetrasulfanyl)ethylbenzene

1-(1-phenylethyltetrasulfanyl)ethylbenzene (PubChem CID 71330817) has the molecular formula C16H18S4 and a molecular weight of 338.59 g/mol. Its IUPAC name is 1-(1-phenylethyltetrasulfanyl)ethylbenzene.

Molecular Properties

Compound Name1-(1-phenylethyltetrasulfanyl)ethylbenzene
PubChem CID71330817
Molecular FormulaC16H18S4
Molecular Weight338.59 g/mol
Exact Mass338.03
IUPAC Name1-(1-phenylethyltetrasulfanyl)ethylbenzene
SMILESCC(SSSSC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18S4/c1-13(15-9-5-3-6-10-15)17-19-20-18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyRNWYLVZFTJZPQQ-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.59
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
ethane;1-ethylsulfanylethylbenzene
CID 91185856
1-(2-methylpropylsulfanyl)ethylbenzene
CID 126656932
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
cumene
CID 161227923
[(benzhydryltrisulfanyl)-phenylmethyl]benzene
CID 141498612
1-phenylethanethiol;hydrobromide
CID 173223511
1-(1-phenylethylsulfanyl)propan-2-amine
CID 66219944
cumene;ethane
CID 54306132

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyltetrasulfanyl)ethylbenzene?
The IUPAC name of 1-(1-phenylethyltetrasulfanyl)ethylbenzene (CID 71330817) is 1-(1-phenylethyltetrasulfanyl)ethylbenzene.
What is the SMILES notation for 1-(1-phenylethyltetrasulfanyl)ethylbenzene?
The canonical SMILES for 1-(1-phenylethyltetrasulfanyl)ethylbenzene is CC(SSSSC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyltetrasulfanyl)ethylbenzene?
The InChIKey is RNWYLVZFTJZPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S4/c1-13(15-9-5-3-6-10-15)17-19-20-18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of 1-(1-phenylethyltetrasulfanyl)ethylbenzene?
1-(1-phenylethyltetrasulfanyl)ethylbenzene has a molecular weight of 338.59 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyltetrasulfanyl)ethylbenzene is sourced from PubChem (CID 71330817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).