CID 20658998

Cl2O4S2 — CID 20658998

IUPAC—
SMILESO=S(=O)(Cl)S(=O)(=O)Cl
InChIInChI=1S/Cl2O4S2/c1-7(3,4)8(2,5)6
InChIKeyOJPLUOQZVGRNFQ-UHFFFAOYSA-N
MW199.04 g/mol
LogP0.04
Rot. Bonds1

About CID 20658998

CID 20658998 (PubChem CID 20658998) has the molecular formula Cl2O4S2 and a molecular weight of 199.04 g/mol.

Molecular Properties

Compound NameCID 20658998
PubChem CID20658998
Molecular FormulaCl2O4S2
Molecular Weight199.04 g/mol
Exact Mass197.86
IUPAC Name—
SMILESO=S(=O)(Cl)S(=O)(=O)Cl
InChIInChI=1S/Cl2O4S2/c1-7(3,4)8(2,5)6
InChIKeyOJPLUOQZVGRNFQ-UHFFFAOYSA-N
XLogP0.04
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20658998?
The IUPAC name of CID 20658998 (CID 20658998) is not available.
What is the SMILES notation for CID 20658998?
The canonical SMILES for CID 20658998 is O=S(=O)(Cl)S(=O)(=O)Cl.
What is the InChIKey of CID 20658998?
The InChIKey is OJPLUOQZVGRNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2O4S2/c1-7(3,4)8(2,5)6.
What are the key properties of CID 20658998?
CID 20658998 has a molecular weight of 199.04 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20658998 is sourced from PubChem (CID 20658998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).