carbonochloridoyloxymethanedithioic acid

C2HClO2S2 — CID 88731419

IUPACcarbonochloridoyloxymethanedithioic acid
SMILESO=C(Cl)OC(=S)S
InChIInChI=1S/C2HClO2S2/c3-1(4)5-2(6)7/h(H,6,7)
InChIKeyMAJZVAKRXSZDLX-UHFFFAOYSA-N
MW156.61 g/mol
LogP1.58
Rot. Bonds

About carbonochloridoyloxymethanedithioic acid

carbonochloridoyloxymethanedithioic acid (PubChem CID 88731419) has the molecular formula C2HClO2S2 and a molecular weight of 156.61 g/mol. Its IUPAC name is carbonochloridoyloxymethanedithioic acid.

Molecular Properties

Compound Namecarbonochloridoyloxymethanedithioic acid
PubChem CID88731419
Molecular FormulaC2HClO2S2
Molecular Weight156.61 g/mol
Exact Mass155.91
IUPAC Namecarbonochloridoyloxymethanedithioic acid
SMILESO=C(Cl)OC(=S)S
InChIInChI=1S/C2HClO2S2/c3-1(4)5-2(6)7/h(H,6,7)
InChIKeyMAJZVAKRXSZDLX-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

carbonochloridoyl carbonochloridate
CID 15856549
carboxyoxymethanedithioic acid
CID 172822398
dicarbonochloridoyl propanedioate
CID 175494623
ethenyl carbonochloridate;methane;dihydrochloride
CID 174491534
azane;sulfanylcarbonyloxymethanethioic S-acid
CID 175276543
prop-1-en-2-yl carbonochloridate
CID 123801859
sodium;hydride;[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxymethanedithioic acid
CID 173307114
thiocarbonyl dichloride;hydrofluoride
CID 87355184
azane;methyl carbonochloridate
CID 126567257
acetyloxymethoxymethanedithioic acid
CID 175203705
butoxymethanedithioic acid;propanoic acid
CID 174237104
hypochlorous acid;ruthenium
CID 173006590

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyloxymethanedithioic acid?
The IUPAC name of carbonochloridoyloxymethanedithioic acid (CID 88731419) is carbonochloridoyloxymethanedithioic acid.
What is the SMILES notation for carbonochloridoyloxymethanedithioic acid?
The canonical SMILES for carbonochloridoyloxymethanedithioic acid is O=C(Cl)OC(=S)S.
What is the InChIKey of carbonochloridoyloxymethanedithioic acid?
The InChIKey is MAJZVAKRXSZDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClO2S2/c3-1(4)5-2(6)7/h(H,6,7).
What are the key properties of carbonochloridoyloxymethanedithioic acid?
carbonochloridoyloxymethanedithioic acid has a molecular weight of 156.61 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyloxymethanedithioic acid is sourced from PubChem (CID 88731419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).