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

C8H18S4 — CID 20695357

IUPAC2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
SMILESCCCSC(CS)CSCCS
InChIInChI=1S/C8H18S4/c1-2-4-12-8(6-10)7-11-5-3-9/h8-10H,2-7H2,1H3
InChIKeyJOJBMKIIGPCFIH-UHFFFAOYSA-N
MW242.50 g/mol
LogP3.09
Rot. Bonds8

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

2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol (PubChem CID 20695357) has the molecular formula C8H18S4 and a molecular weight of 242.50 g/mol. Its IUPAC name is 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
PubChem CID20695357
Molecular FormulaC8H18S4
Molecular Weight242.50 g/mol
Exact Mass242.03
IUPAC Name2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
SMILESCCCSC(CS)CSCCS
InChIInChI=1S/C8H18S4/c1-2-4-12-8(6-10)7-11-5-3-9/h8-10H,2-7H2,1H3
InChIKeyJOJBMKIIGPCFIH-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol 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

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
4-[1-sulfanyl-3-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropan-2-yl]sulfanylbutane-2-thiol
CID 175462193
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-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 23083486
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
1-[2,3-bis(propylsulfanyl)propylsulfanyl]butane
CID 58986862
2-(2-sulfanylethylsulfanyl)pentane-1-thiol
CID 23516631
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
2-(1-ethylsulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 170090551
3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 155237339
2-[2,3-bis(2-sulfanylethylsulfanyl)propylsulfanyl]ethane-1,1-diol
CID 141470064

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol?
The IUPAC name of 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol (CID 20695357) is 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol?
The canonical SMILES for 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol is CCCSC(CS)CSCCS.
What is the InChIKey of 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol?
The InChIKey is JOJBMKIIGPCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S4/c1-2-4-12-8(6-10)7-11-5-3-9/h8-10H,2-7H2,1H3.
What are the key properties of 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol?
2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol has a molecular weight of 242.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 20695357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).