2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene

C20H26OS4 — CID 100985455

IUPAC2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene
SMILESc1ccc(SCCSCCOCCSCCSc2ccccc2)cc1
InChIInChI=1S/C20H26OS4/c1-3-7-19(8-4-1)24-17-15-22-13-11-21-12-14-23-16-18-25-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKeyUAKVSMCEIKZUOH-UHFFFAOYSA-N
MW410.69 g/mol
LogP6.05
Rot. Bonds14

About 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene

2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene (PubChem CID 100985455) has the molecular formula C20H26OS4 and a molecular weight of 410.69 g/mol. Its IUPAC name is 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene.

Molecular Properties

Compound Name2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene
PubChem CID100985455
Molecular FormulaC20H26OS4
Molecular Weight410.69 g/mol
Exact Mass410.09
IUPAC Name2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene
SMILESc1ccc(SCCSCCOCCSCCSc2ccccc2)cc1
InChIInChI=1S/C20H26OS4/c1-3-7-19(8-4-1)24-17-15-22-13-11-21-12-14-23-16-18-25-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKeyUAKVSMCEIKZUOH-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-pentoxyethylsulfanylbenzene
CID 79403621
4-(2-phenylsulfanylethylsulfanyl)butan-2-amine
CID 79222065
2-(2-phenylsulfanylethylsulfanyl)acetic acid
CID 61031331
tris(2-phenylsulfanylethyl) phosphite
CID 154086310
1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
CID 2992878
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
4-(2,2-dimethylpropoxy)butylsulfanylbenzene
CID 164788851
11-(3-sulfanyloxypropoxy)undecylsulfanylbenzene
CID 162744614
N-(3-phenylsulfanylpropoxy)methanamine
CID 143014343
2-(2-ethoxyethylsulfanyl)ethoxybenzene
CID 112777213
lithium 2-phenylsulfanylethanethiolate
CID 102509871
3-(methoxymethoxy)propylsulfanylbenzene
CID 11344888

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene?
The IUPAC name of 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene (CID 100985455) is 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene.
What is the SMILES notation for 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene?
The canonical SMILES for 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene is c1ccc(SCCSCCOCCSCCSc2ccccc2)cc1.
What is the InChIKey of 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene?
The InChIKey is UAKVSMCEIKZUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS4/c1-3-7-19(8-4-1)24-17-15-22-13-11-21-12-14-23-16-18-25-20-9-5-2-6-10-20/h1-10H,11-18H2.
What are the key properties of 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene?
2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene has a molecular weight of 410.69 g/mol, XLogP of 6.05, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene is sourced from PubChem (CID 100985455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).