CID 175356762

C4H8O6S2 — CID 175356762

IUPAC—
SMILESC=CC=C.O=S(=O)(O)S(=O)(=O)O
InChIInChI=1S/C4H6.H2O6S2/c1-3-4-2;1-7(2,3)8(4,5)6/h3-4H,1-2H2;(H,1,2,3)(H,4,5,6)
InChIKeyADAUJCBNROCRIL-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.04
Rot. Bonds2

About CID 175356762

CID 175356762 (PubChem CID 175356762) has the molecular formula C4H8O6S2 and a molecular weight of 216.24 g/mol.

Molecular Properties

Compound NameCID 175356762
PubChem CID175356762
Molecular FormulaC4H8O6S2
Molecular Weight216.24 g/mol
Exact Mass215.98
IUPAC Name—
SMILESC=CC=C.O=S(=O)(O)S(=O)(=O)O
InChIInChI=1S/C4H6.H2O6S2/c1-3-4-2;1-7(2,3)8(4,5)6/h3-4H,1-2H2;(H,1,2,3)(H,4,5,6)
InChIKeyADAUJCBNROCRIL-UHFFFAOYSA-N
XLogP0.04
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174637419
CID 174637419
disodium;buta-1,3-diene;sulfate
CID 175307386
buta-1,3-diene;molecular oxygen
CID 141321384
hydroxy-methyl-oxo-prop-2-enylidene-λ6-sulfane
CID 91525917
buta-1,3-diene
CID 7845
(2Z)-penta-2,4-diene-2-sulfonic acid
CID 18761983
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
lithium;buta-1,3-diene;hydride;titanium
CID 173312830
ethene;sulfuric acid
CID 88750210
CID 58391572
CID 58391572
ethane-1,2-diol;ethenol;sulfuric acid
CID 87139744
sodium;prop-1-ene;sulfoazanide
CID 22369884

Frequently Asked Questions

What is the IUPAC name of CID 175356762?
The IUPAC name of CID 175356762 (CID 175356762) is not available.
What is the SMILES notation for CID 175356762?
The canonical SMILES for CID 175356762 is C=CC=C.O=S(=O)(O)S(=O)(=O)O.
What is the InChIKey of CID 175356762?
The InChIKey is ADAUJCBNROCRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.H2O6S2/c1-3-4-2;1-7(2,3)8(4,5)6/h3-4H,1-2H2;(H,1,2,3)(H,4,5,6).
What are the key properties of CID 175356762?
CID 175356762 has a molecular weight of 216.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175356762 is sourced from PubChem (CID 175356762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).