3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol

C5H12S5 — CID 155237339

IUPAC3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
SMILESSCCSC(CS)CSS
InChIInChI=1S/C5H12S5/c6-1-2-9-5(3-7)4-10-8/h5-8H,1-4H2
InChIKeyCIJSDOGROACFBW-UHFFFAOYSA-N
MW232.49 g/mol
LogP2.53
Rot. Bonds6

About 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol

3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol (PubChem CID 155237339) has the molecular formula C5H12S5 and a molecular weight of 232.49 g/mol. Its IUPAC name is 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
PubChem CID155237339
Molecular FormulaC5H12S5
Molecular Weight232.49 g/mol
Exact Mass231.95
IUPAC Name3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
SMILESSCCSC(CS)CSS
InChIInChI=1S/C5H12S5/c6-1-2-9-5(3-7)4-10-8/h5-8H,1-4H2
InChIKeyCIJSDOGROACFBW-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.49
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-sulfanylethylsulfanyl)-3-[[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]trisulfanyl]propane-1-thiol
CID 175012684
2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;2-sulfanylpropane-1,3-diol
CID 163915227
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 20695357
2-(2-sulfanylethylsulfanyl)pentane-1-thiol
CID 23516631
3-[(1E)-1-[methyl(sulfanylmethyl)-λ4-sulfanylidene]-3-sulfanylpropan-2-yl]sulfanyl-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 59055224
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-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]-3-(2-sulfanylethylsulfanyl)butane-1,4-dithiol
CID 54441669
4-[1-sulfanyl-3-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropan-2-yl]sulfanylbutane-2-thiol
CID 175462193
trisodium;2,3-bis(2-sulfanylethylsulfanyl)propane-1-thiol;2,3-bis(2-sulfidoethylsulfanyl)propane-1-thiolate;chloromethane
CID 158040802
2-[(2R)-1-[2-[(2S)-2-(2-hydroxyethylsulfanyl)-3-sulfanylpropyl]sulfanylethylsulfanyl]-3-sulfanylpropan-2-yl]sulfanylethanol
CID 150798859
3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 23083486

Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol?
The IUPAC name of 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol (CID 155237339) is 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol?
The canonical SMILES for 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol is SCCSC(CS)CSS.
What is the InChIKey of 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol?
The InChIKey is CIJSDOGROACFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S5/c6-1-2-9-5(3-7)4-10-8/h5-8H,1-4H2.
What are the key properties of 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol?
3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol has a molecular weight of 232.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 155237339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).