3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial

C5H10S4 — CID 87129679

IUPAC3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial
SMILESS=CCC(S)SCCS
InChIInChI=1S/C5H10S4/c6-2-1-5(8)9-4-3-7/h2,5,7-8H,1,3-4H2
InChIKeyXSGIFLAGYAUJRT-UHFFFAOYSA-N
MW198.40 g/mol
LogP2.30
Rot. Bonds5

About 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial

3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial (PubChem CID 87129679) has the molecular formula C5H10S4 and a molecular weight of 198.40 g/mol. Its IUPAC name is 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial.

Molecular Properties

Compound Name3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial
PubChem CID87129679
Molecular FormulaC5H10S4
Molecular Weight198.40 g/mol
Exact Mass197.97
IUPAC Name3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial
SMILESS=CCC(S)SCCS
InChIInChI=1S/C5H10S4/c6-2-1-5(8)9-4-3-7/h2,5,7-8H,1,3-4H2
InChIKeyXSGIFLAGYAUJRT-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial?
The IUPAC name of 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial (CID 87129679) is 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial.
What is the SMILES notation for 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial?
The canonical SMILES for 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial is S=CCC(S)SCCS.
What is the InChIKey of 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial?
The InChIKey is XSGIFLAGYAUJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S4/c6-2-1-5(8)9-4-3-7/h2,5,7-8H,1,3-4H2.
What are the key properties of 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial?
3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial has a molecular weight of 198.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial is sourced from PubChem (CID 87129679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).