3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol

C10H22S7 — CID 23083486

IUPAC3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
SMILESSCCSCC(CS)SC(CS)CSCCS
InChIInChI=1S/C10H22S7/c11-1-3-15-7-9(5-13)17-10(6-14)8-16-4-2-12/h9-14H,1-8H2
InChIKeyOCGYTRZLSMAPQC-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.64
Rot. Bonds12

About 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol

3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol (PubChem CID 23083486) has the molecular formula C10H22S7 and a molecular weight of 366.76 g/mol. Its IUPAC name is 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol.

Molecular Properties

Compound Name3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
PubChem CID23083486
Molecular FormulaC10H22S7
Molecular Weight366.76 g/mol
Exact Mass365.98
IUPAC Name3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
SMILESSCCSCC(CS)SC(CS)CSCCS
InChIInChI=1S/C10H22S7/c11-1-3-15-7-9(5-13)17-10(6-14)8-16-4-2-12/h9-14H,1-8H2
InChIKeyOCGYTRZLSMAPQC-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol with MolForge

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Related Compounds

3-(2-sulfanylethylsulfanyl)-2-[1-(2-sulfanylethylsulfanyl)butan-2-ylsulfanyl]propane-1-thiol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;3-(2-sulfanylethylsulfanyl)-2-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 160834171
2-(1-ethylsulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 170090551
methane;3-(sulfanylmethylsulfanyl)-2-[1-sulfanyl-3-(sulfanylmethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 159406281
2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 20695357
1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-ol
CID 139922252
1-(2-hydroxyethylsulfanyl)-3-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylpropan-2-ol;3-propylsulfanyl-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;3-(2-sulfanylethylsulfanyl)-2-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 158693477
4-[1-sulfanyl-3-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropan-2-yl]sulfanylbutane-2-thiol
CID 175462193
2-[2,3-bis(2-sulfanylethylsulfanyl)propylsulfanyl]ethane-1,1-diol
CID 141470064
2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 142413458
2-(2-isocyanato-2-sulfanylethyl)sulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 130194145
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
trisodium;2,3-bis(2-sulfanylethylsulfanyl)propane-1-thiol;2,3-bis(2-sulfidoethylsulfanyl)propane-1-thiolate;chloromethane
CID 158040802

Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol?
The IUPAC name of 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol (CID 23083486) is 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol.
What is the SMILES notation for 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol?
The canonical SMILES for 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol is SCCSCC(CS)SC(CS)CSCCS.
What is the InChIKey of 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol?
The InChIKey is OCGYTRZLSMAPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S7/c11-1-3-15-7-9(5-13)17-10(6-14)8-16-4-2-12/h9-14H,1-8H2.
What are the key properties of 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol?
3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol has a molecular weight of 366.76 g/mol, XLogP of 3.64, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol is sourced from PubChem (CID 23083486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).