1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol

C9H20S7 — CID 150355710

IUPAC1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol
SMILESCC(S)(S)C(S)SCCSCCSCCS
InChIInChI=1S/C9H20S7/c1-9(12,13)8(11)16-7-6-15-5-4-14-3-2-10/h8,10-13H,2-7H2,1H3
InChIKeyGURDTYYZSOQYLZ-UHFFFAOYSA-N
MW352.73 g/mol
LogP3.95
Rot. Bonds10

About 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol

1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol (PubChem CID 150355710) has the molecular formula C9H20S7 and a molecular weight of 352.73 g/mol. Its IUPAC name is 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol.

Molecular Properties

Compound Name1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol
PubChem CID150355710
Molecular FormulaC9H20S7
Molecular Weight352.73 g/mol
Exact Mass351.96
IUPAC Name1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol
SMILESCC(S)(S)C(S)SCCSCCSCCS
InChIInChI=1S/C9H20S7/c1-9(12,13)8(11)16-7-6-15-5-4-14-3-2-10/h8,10-13H,2-7H2,1H3
InChIKeyGURDTYYZSOQYLZ-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
1,1-bis[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol
CID 118093150
3-[2-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1,2-dithiol
CID 146406075
2-butylsulfanylethanethiol
CID 3613970
2-(2,2-dimethylpropylsulfanyl)ethanethiol
CID 146651624
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
2-[3,4,4-tris(2-sulfanylethylsulfanyl)butylsulfanyl]ethanethiol
CID 87106223
2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
CID 158899446
2,2-dimethyl-1-propylsulfanylpropane-1-thiol
CID 173064333
2-dodecylsulfanylethanethiol
CID 19846581
tris(2-dodecylsulfanylethanethiol);stibane
CID 173397568
methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium
CID 172790790

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol?
The IUPAC name of 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol (CID 150355710) is 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol.
What is the SMILES notation for 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol?
The canonical SMILES for 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol is CC(S)(S)C(S)SCCSCCSCCS.
What is the InChIKey of 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol?
The InChIKey is GURDTYYZSOQYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S7/c1-9(12,13)8(11)16-7-6-15-5-4-14-3-2-10/h8,10-13H,2-7H2,1H3.
What are the key properties of 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol?
1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol has a molecular weight of 352.73 g/mol, XLogP of 3.95, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol is sourced from PubChem (CID 150355710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).