3-sulfosulfanylprop-1-ene

C3H6O3S2 — CID 10582995

IUPAC3-sulfosulfanylprop-1-ene
SMILESC=CCSS(=O)(=O)O
InChIInChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H,4,5,6)
InChIKeyXYSGBMFRWBTULR-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.71
Rot. Bonds3

About 3-sulfosulfanylprop-1-ene

3-sulfosulfanylprop-1-ene (PubChem CID 10582995) has the molecular formula C3H6O3S2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-sulfosulfanylprop-1-ene.

Molecular Properties

Compound Name3-sulfosulfanylprop-1-ene
PubChem CID10582995
Molecular FormulaC3H6O3S2
Molecular Weight154.21 g/mol
Exact Mass153.98
IUPAC Name3-sulfosulfanylprop-1-ene
SMILESC=CCSS(=O)(=O)O
InChIInChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H,4,5,6)
InChIKeyXYSGBMFRWBTULR-UHFFFAOYSA-N
XLogP0.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene
CID 54600760
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide
CID 165346007
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
prop-2-enylsulfanylmethanethioic S-acid
CID 87246212

Frequently Asked Questions

What is the IUPAC name of 3-sulfosulfanylprop-1-ene?
The IUPAC name of 3-sulfosulfanylprop-1-ene (CID 10582995) is 3-sulfosulfanylprop-1-ene.
What is the SMILES notation for 3-sulfosulfanylprop-1-ene?
The canonical SMILES for 3-sulfosulfanylprop-1-ene is C=CCSS(=O)(=O)O.
What is the InChIKey of 3-sulfosulfanylprop-1-ene?
The InChIKey is XYSGBMFRWBTULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H,4,5,6).
What are the key properties of 3-sulfosulfanylprop-1-ene?
3-sulfosulfanylprop-1-ene has a molecular weight of 154.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfosulfanylprop-1-ene is sourced from PubChem (CID 10582995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).