CID 175309743

C4H8O7S2 — CID 175309743

IUPAC—
SMILESCC(=O)OC(C)=O.O=S(O)S(=O)O
InChIInChI=1S/C4H6O3.H2O4S2/c1-3(5)7-4(2)6;1-5(2)6(3)4/h1-2H3;(H,1,2)(H,3,4)
InChIKeyVBMHBFKYEVEJTK-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.56
Rot. Bonds1

About CID 175309743

CID 175309743 (PubChem CID 175309743) has the molecular formula C4H8O7S2 and a molecular weight of 232.23 g/mol.

Molecular Properties

Compound NameCID 175309743
PubChem CID175309743
Molecular FormulaC4H8O7S2
Molecular Weight232.23 g/mol
Exact Mass231.97
IUPAC Name—
SMILESCC(=O)OC(C)=O.O=S(O)S(=O)O
InChIInChI=1S/C4H6O3.H2O4S2/c1-3(5)7-4(2)6;1-5(2)6(3)4/h1-2H3;(H,1,2)(H,3,4)
InChIKeyVBMHBFKYEVEJTK-UHFFFAOYSA-N
XLogP-0.56
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze CID 175309743 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

acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl acetate;carbanide;gold
CID 87857087
dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;zinc;dihydrate
CID 174593639
aluminum;acetyl acetate;trichloride
CID 86584360
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium
CID 126843366
acetyl acetate;bis(trifluoroborane)
CID 87483459
CID 86742114
CID 86742114

Frequently Asked Questions

What is the IUPAC name of CID 175309743?
The IUPAC name of CID 175309743 (CID 175309743) is not available.
What is the SMILES notation for CID 175309743?
The canonical SMILES for CID 175309743 is CC(=O)OC(C)=O.O=S(O)S(=O)O.
What is the InChIKey of CID 175309743?
The InChIKey is VBMHBFKYEVEJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.H2O4S2/c1-3(5)7-4(2)6;1-5(2)6(3)4/h1-2H3;(H,1,2)(H,3,4).
What are the key properties of CID 175309743?
CID 175309743 has a molecular weight of 232.23 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175309743 is sourced from PubChem (CID 175309743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).