3-(sulfanylmethylsulfanyl)propane-1,2-dithiol

C4H10S4 — CID 23503994

IUPAC3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
SMILESSCSCC(S)CS
InChIInChI=1S/C4H10S4/c5-1-4(7)2-8-3-6/h4-7H,1-3H2
InChIKeyVAKOBSQEAUBUAZ-UHFFFAOYSA-N
MW186.39 g/mol
LogP1.84
Rot. Bonds4

About 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol

3-(sulfanylmethylsulfanyl)propane-1,2-dithiol (PubChem CID 23503994) has the molecular formula C4H10S4 and a molecular weight of 186.39 g/mol. Its IUPAC name is 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol.

Molecular Properties

Compound Name3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
PubChem CID23503994
Molecular FormulaC4H10S4
Molecular Weight186.39 g/mol
Exact Mass185.97
IUPAC Name3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
SMILESSCSCC(S)CS
InChIInChI=1S/C4H10S4/c5-1-4(7)2-8-3-6/h4-7H,1-3H2
InChIKeyVAKOBSQEAUBUAZ-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol 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-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol
CID 23072578
3-[2-[2,3-bis(sulfanyl)propylsulfanyl]-3-sulfanylpropyl]sulfanylpropane-1,2-dithiol
CID 161244767
3-[2-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1,2-dithiol
CID 146406075
methane;3-(sulfanylmethylsulfanyl)-2-[1-sulfanyl-3-(sulfanylmethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 159406281
1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
CID 141415810
3-aminopropane-1,2-dithiol
CID 54490245
sulfanylmethylsulfanylmethylsulfanylmethanethiol
CID 15824431
2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol
CID 158891475
3-[2,3-bis(sulfanyl)propoxy]propane-1,2-dithiol
CID 20502926
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
2,3-bis(sulfanyl)propylsulfanyl 2-methylprop-2-enoate
CID 129193873
pentane-1,2,5-trithiol
CID 87093666

Frequently Asked Questions

What is the IUPAC name of 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol?
The IUPAC name of 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol (CID 23503994) is 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol.
What is the SMILES notation for 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol?
The canonical SMILES for 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol is SCSCC(S)CS.
What is the InChIKey of 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol?
The InChIKey is VAKOBSQEAUBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S4/c5-1-4(7)2-8-3-6/h4-7H,1-3H2.
What are the key properties of 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol?
3-(sulfanylmethylsulfanyl)propane-1,2-dithiol has a molecular weight of 186.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfanylmethylsulfanyl)propane-1,2-dithiol is sourced from PubChem (CID 23503994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).