methylsulfinamoylformyl chloride

C2H4ClNO2S — CID 146282584

IUPACmethylsulfinamoylformyl chloride
SMILESCNS(=O)C(=O)Cl
InChIInChI=1S/C2H4ClNO2S/c1-4-7(6)2(3)5/h4H,1H3
InChIKeyYAUXQJCZLMSJEW-UHFFFAOYSA-N
MW141.58 g/mol
LogP0.23
Rot. Bonds1

About methylsulfinamoylformyl chloride

methylsulfinamoylformyl chloride (PubChem CID 146282584) has the molecular formula C2H4ClNO2S and a molecular weight of 141.58 g/mol. Its IUPAC name is methylsulfinamoylformyl chloride.

Molecular Properties

Compound Namemethylsulfinamoylformyl chloride
PubChem CID146282584
Molecular FormulaC2H4ClNO2S
Molecular Weight141.58 g/mol
Exact Mass140.97
IUPAC Namemethylsulfinamoylformyl chloride
SMILESCNS(=O)C(=O)Cl
InChIInChI=1S/C2H4ClNO2S/c1-4-7(6)2(3)5/h4H,1H3
InChIKeyYAUXQJCZLMSJEW-UHFFFAOYSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.58
LogP ≤ 50.23
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methylsulfinamoylformyl chloride?
The IUPAC name of methylsulfinamoylformyl chloride (CID 146282584) is methylsulfinamoylformyl chloride.
What is the SMILES notation for methylsulfinamoylformyl chloride?
The canonical SMILES for methylsulfinamoylformyl chloride is CNS(=O)C(=O)Cl.
What is the InChIKey of methylsulfinamoylformyl chloride?
The InChIKey is YAUXQJCZLMSJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNO2S/c1-4-7(6)2(3)5/h4H,1H3.
What are the key properties of methylsulfinamoylformyl chloride?
methylsulfinamoylformyl chloride has a molecular weight of 141.58 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinamoylformyl chloride is sourced from PubChem (CID 146282584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).