2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol

C26H38O2S7 — CID 154988686

IUPAC2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
SMILESSCCSCCSCCCOc1ccc(Sc2ccc(OCCCSCCSCCS)cc2)cc1
InChIInChI=1S/C26H38O2S7/c29-13-17-33-21-19-31-15-1-11-27-23-3-7-25(8-4-23)35-26-9-5-24(6-10-26)28-12-2-16-32-20-22-34-18-14-30/h3-10,29-30H,1-2,11-22H2
InChIKeyYGFZFNHJFHPILR-UHFFFAOYSA-N
MW607.06 g/mol
LogP8.17
Rot. Bonds22

About 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol

2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol (PubChem CID 154988686) has the molecular formula C26H38O2S7 and a molecular weight of 607.06 g/mol. Its IUPAC name is 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
PubChem CID154988686
Molecular FormulaC26H38O2S7
Molecular Weight607.06 g/mol
Exact Mass606.09
IUPAC Name2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
SMILESSCCSCCSCCCOc1ccc(Sc2ccc(OCCCSCCSCCS)cc2)cc1
InChIInChI=1S/C26H38O2S7/c29-13-17-33-21-19-31-15-1-11-27-23-3-7-25(8-4-23)35-26-9-5-24(6-10-26)28-12-2-16-32-20-22-34-18-14-30/h3-10,29-30H,1-2,11-22H2
InChIKeyYGFZFNHJFHPILR-UHFFFAOYSA-N
XLogP8.17
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.06
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[2-[2-[3-[4-[4-[3-[2-[2-(2-sulfanylethylsulfanyl)ethoxy]ethylsulfanyl]propoxy]phenoxy]phenoxy]propylsulfanyl]ethoxy]ethylsulfanyl]ethanethiol
CID 164732329
2-[2-[3-[4-[diphenyl-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]methyl]phenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
CID 154988794
[4-[4-(sulfanylmethoxy)phenyl]sulfanylphenoxy]methanethiol
CID 175461496
2-[2-[3-[4-[[3-[3-(2-propylsulfanylethylsulfanyl)propoxy]phenyl]methyl]phenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
CID 154988756
trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane
CID 139776557
[4-[3-(3-methoxypropylsulfanyl)propoxy]phenyl]methanamine
CID 63857035
[4-(3-propylsulfanylpropoxy)phenyl]methanamine
CID 43530070
2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol
CID 155249081
1-chloro-4-[4-(2-chloroethylsulfanyl)butoxy]benzene
CID 121001040
1,2,3,4-tetrakis[(4-butoxyphenyl)sulfanyl]benzene
CID 177307611
[4-(3-hydroxypropoxy)phenyl] thiohypochlorite
CID 23192680
S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine
CID 145154833

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol?
The IUPAC name of 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol (CID 154988686) is 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol?
The canonical SMILES for 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol is SCCSCCSCCCOc1ccc(Sc2ccc(OCCCSCCSCCS)cc2)cc1.
What is the InChIKey of 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol?
The InChIKey is YGFZFNHJFHPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2S7/c29-13-17-33-21-19-31-15-1-11-27-23-3-7-25(8-4-23)35-26-9-5-24(6-10-26)28-12-2-16-32-20-22-34-18-14-30/h3-10,29-30H,1-2,11-22H2.
What are the key properties of 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol?
2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol has a molecular weight of 607.06 g/mol, XLogP of 8.17, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol is sourced from PubChem (CID 154988686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).