chlorosulfinylformyl chloride

CCl2O2S — CID 140972037

IUPACchlorosulfinylformyl chloride
SMILESO=C(Cl)S(=O)Cl
InChIInChI=1S/CCl2O2S/c2-1(4)6(3)5
InChIKeySJXSCUKEIASMFO-UHFFFAOYSA-N
MW146.98 g/mol
LogP1.25
Rot. Bonds

About chlorosulfinylformyl chloride

chlorosulfinylformyl chloride (PubChem CID 140972037) has the molecular formula CCl2O2S and a molecular weight of 146.98 g/mol. Its IUPAC name is chlorosulfinylformyl chloride.

Molecular Properties

Compound Namechlorosulfinylformyl chloride
PubChem CID140972037
Molecular FormulaCCl2O2S
Molecular Weight146.98 g/mol
Exact Mass145.90
IUPAC Namechlorosulfinylformyl chloride
SMILESO=C(Cl)S(=O)Cl
InChIInChI=1S/CCl2O2S/c2-1(4)6(3)5
InChIKeySJXSCUKEIASMFO-UHFFFAOYSA-N
XLogP1.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.98
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propanoyl chloride;thionyl dichloride
CID 91232879
methylsulfinamoylformyl chloride
CID 146282584
carbonic acid;sulfane;sulfurous acid
CID 88746188
azane;hydron;hypochlorous acid;bis(sulfur trioxide);hydrate
CID 158915649
CID 159701297
CID 159701297
CID 160946588
CID 160946588
CID 175730085
CID 175730085
2-chlorosulfinylacetic acid
CID 87759618
3-chlorosulfinyl-2-methylpropanoyl chloride
CID 12642379
argon;oxalyl dichloride
CID 87589322
CID 175328080
CID 175328080
bis(carbonochloridic acid);sulfane
CID 172835301

Frequently Asked Questions

What is the IUPAC name of chlorosulfinylformyl chloride?
The IUPAC name of chlorosulfinylformyl chloride (CID 140972037) is chlorosulfinylformyl chloride.
What is the SMILES notation for chlorosulfinylformyl chloride?
The canonical SMILES for chlorosulfinylformyl chloride is O=C(Cl)S(=O)Cl.
What is the InChIKey of chlorosulfinylformyl chloride?
The InChIKey is SJXSCUKEIASMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl2O2S/c2-1(4)6(3)5.
What are the key properties of chlorosulfinylformyl chloride?
chlorosulfinylformyl chloride has a molecular weight of 146.98 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfinylformyl chloride is sourced from PubChem (CID 140972037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).