2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol

C14H22S6 — CID 155249081

IUPAC2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol
SMILESSCCSCCSc1cccc(SCCSCCS)c1
InChIInChI=1S/C14H22S6/c15-4-6-17-8-10-19-13-2-1-3-14(12-13)20-11-9-18-7-5-16/h1-3,12,15-16H,4-11H2
InChIKeyCXZDWZMBPRPPNN-UHFFFAOYSA-N
MW382.73 g/mol
LogP5.20
Rot. Bonds12

About 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol

2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol (PubChem CID 155249081) has the molecular formula C14H22S6 and a molecular weight of 382.73 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol
PubChem CID155249081
Molecular FormulaC14H22S6
Molecular Weight382.73 g/mol
Exact Mass382.00
IUPAC Name2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol
SMILESSCCSCCSc1cccc(SCCSCCS)c1
InChIInChI=1S/C14H22S6/c15-4-6-17-8-10-19-13-2-1-3-14(12-13)20-11-9-18-7-5-16/h1-3,12,15-16H,4-11H2
InChIKeyCXZDWZMBPRPPNN-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.73
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylsulfanylphenyl)sulfanylethanethiol
CID 140993719
1,3-bis(2-methylsulfanylethylsulfanyl)benzene
CID 174193646
S-[3-[2-[2-[3-(2-methylprop-2-enoylsulfanyl)phenyl]sulfanylethylsulfanyl]ethylsulfanyl]phenyl] 2-methylprop-2-enethioate
CID 170191904
ethane;2-phenylsulfanylethanethiol
CID 142910826
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
CID 43417001
9-(3-methylphenyl)sulfanylnonane-1-thiol
CID 105344760
2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene
CID 100985455
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
CID 154988686
2-[2-[3-[4-[[3-[3-(2-propylsulfanylethylsulfanyl)propoxy]phenyl]methyl]phenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
CID 154988756
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
CID 117033721

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol?
The IUPAC name of 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol (CID 155249081) is 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol?
The canonical SMILES for 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol is SCCSCCSc1cccc(SCCSCCS)c1.
What is the InChIKey of 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol?
The InChIKey is CXZDWZMBPRPPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S6/c15-4-6-17-8-10-19-13-2-1-3-14(12-13)20-11-9-18-7-5-16/h1-3,12,15-16H,4-11H2.
What are the key properties of 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol?
2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol has a molecular weight of 382.73 g/mol, XLogP of 5.20, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol is sourced from PubChem (CID 155249081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).