bis(carbonochloridic acid);sulfane

C2H4Cl2O4S — CID 172835301

IUPACbis(carbonochloridic acid);sulfane
SMILESO=C(O)Cl.O=C(O)Cl.S
InChIInChI=1S/2CHClO2.H2S/c2*2-1(3)4;/h2*(H,3,4);1H2
InChIKeyWBLNPPCHJUTCQT-UHFFFAOYSA-N
MW195.02 g/mol
LogP1.92
Rot. Bonds

About bis(carbonochloridic acid);sulfane

bis(carbonochloridic acid);sulfane (PubChem CID 172835301) has the molecular formula C2H4Cl2O4S and a molecular weight of 195.02 g/mol. Its IUPAC name is bis(carbonochloridic acid);sulfane.

Molecular Properties

Compound Namebis(carbonochloridic acid);sulfane
PubChem CID172835301
Molecular FormulaC2H4Cl2O4S
Molecular Weight195.02 g/mol
Exact Mass193.92
IUPAC Namebis(carbonochloridic acid);sulfane
SMILESO=C(O)Cl.O=C(O)Cl.S
InChIInChI=1S/2CHClO2.H2S/c2*2-1(3)4;/h2*(H,3,4);1H2
InChIKeyWBLNPPCHJUTCQT-UHFFFAOYSA-N
XLogP1.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(carbonochloridic acid);sulfane?
The IUPAC name of bis(carbonochloridic acid);sulfane (CID 172835301) is bis(carbonochloridic acid);sulfane.
What is the SMILES notation for bis(carbonochloridic acid);sulfane?
The canonical SMILES for bis(carbonochloridic acid);sulfane is O=C(O)Cl.O=C(O)Cl.S.
What is the InChIKey of bis(carbonochloridic acid);sulfane?
The InChIKey is WBLNPPCHJUTCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHClO2.H2S/c2*2-1(3)4;/h2*(H,3,4);1H2.
What are the key properties of bis(carbonochloridic acid);sulfane?
bis(carbonochloridic acid);sulfane has a molecular weight of 195.02 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbonochloridic acid);sulfane is sourced from PubChem (CID 172835301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).