2-(2-sulfanylethylsulfanyl)pentane-1-thiol

C7H16S3 — CID 23516631

IUPAC2-(2-sulfanylethylsulfanyl)pentane-1-thiol
SMILESCCCC(CS)SCCS
InChIInChI=1S/C7H16S3/c1-2-3-7(6-9)10-5-4-8/h7-9H,2-6H2,1H3
InChIKeyGEUCFNABYBDPTK-UHFFFAOYSA-N
MW196.41 g/mol
LogP2.75
Rot. Bonds6

About 2-(2-sulfanylethylsulfanyl)pentane-1-thiol

2-(2-sulfanylethylsulfanyl)pentane-1-thiol (PubChem CID 23516631) has the molecular formula C7H16S3 and a molecular weight of 196.41 g/mol. Its IUPAC name is 2-(2-sulfanylethylsulfanyl)pentane-1-thiol.

Molecular Properties

Compound Name2-(2-sulfanylethylsulfanyl)pentane-1-thiol
PubChem CID23516631
Molecular FormulaC7H16S3
Molecular Weight196.41 g/mol
Exact Mass196.04
IUPAC Name2-(2-sulfanylethylsulfanyl)pentane-1-thiol
SMILESCCCC(CS)SCCS
InChIInChI=1S/C7H16S3/c1-2-3-7(6-9)10-5-4-8/h7-9H,2-6H2,1H3
InChIKeyGEUCFNABYBDPTK-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 20695357
3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 155237339
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
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
2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;2-sulfanylpropane-1,3-diol
CID 163915227
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
3-[(1E)-1-[methyl(sulfanylmethyl)-λ4-sulfanylidene]-3-sulfanylpropan-2-yl]sulfanyl-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 59055224
2-butylsulfanylethanethiol
CID 3613970
2-octyl-6-propylnonane-1,9-dithiol
CID 175780572
3-butylsulfanylhexyl 2-sulfanylacetate
CID 139697656

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethylsulfanyl)pentane-1-thiol?
The IUPAC name of 2-(2-sulfanylethylsulfanyl)pentane-1-thiol (CID 23516631) is 2-(2-sulfanylethylsulfanyl)pentane-1-thiol.
What is the SMILES notation for 2-(2-sulfanylethylsulfanyl)pentane-1-thiol?
The canonical SMILES for 2-(2-sulfanylethylsulfanyl)pentane-1-thiol is CCCC(CS)SCCS.
What is the InChIKey of 2-(2-sulfanylethylsulfanyl)pentane-1-thiol?
The InChIKey is GEUCFNABYBDPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S3/c1-2-3-7(6-9)10-5-4-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-(2-sulfanylethylsulfanyl)pentane-1-thiol?
2-(2-sulfanylethylsulfanyl)pentane-1-thiol has a molecular weight of 196.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethylsulfanyl)pentane-1-thiol is sourced from PubChem (CID 23516631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).