methyl N-chlorosulfinylcarbamate

C2H4ClNO3S — CID 20563467

IUPACmethyl N-chlorosulfinylcarbamate
SMILESCOC(=O)NS(=O)Cl
InChIInChI=1S/C2H4ClNO3S/c1-7-2(5)4-8(3)6/h1H3,(H,4,5)
InChIKeyHTKYREYUQBEIOR-UHFFFAOYSA-N
MW157.58 g/mol
LogP0.16
Rot. Bonds1

About methyl N-chlorosulfinylcarbamate

methyl N-chlorosulfinylcarbamate (PubChem CID 20563467) has the molecular formula C2H4ClNO3S and a molecular weight of 157.58 g/mol. Its IUPAC name is methyl N-chlorosulfinylcarbamate.

Molecular Properties

Compound Namemethyl N-chlorosulfinylcarbamate
PubChem CID20563467
Molecular FormulaC2H4ClNO3S
Molecular Weight157.58 g/mol
Exact Mass156.96
IUPAC Namemethyl N-chlorosulfinylcarbamate
SMILESCOC(=O)NS(=O)Cl
InChIInChI=1S/C2H4ClNO3S/c1-7-2(5)4-8(3)6/h1H3,(H,4,5)
InChIKeyHTKYREYUQBEIOR-UHFFFAOYSA-N
XLogP0.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.58
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-chlorosulfinylcarbamate?
The IUPAC name of methyl N-chlorosulfinylcarbamate (CID 20563467) is methyl N-chlorosulfinylcarbamate.
What is the SMILES notation for methyl N-chlorosulfinylcarbamate?
The canonical SMILES for methyl N-chlorosulfinylcarbamate is COC(=O)NS(=O)Cl.
What is the InChIKey of methyl N-chlorosulfinylcarbamate?
The InChIKey is HTKYREYUQBEIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNO3S/c1-7-2(5)4-8(3)6/h1H3,(H,4,5).
What are the key properties of methyl N-chlorosulfinylcarbamate?
methyl N-chlorosulfinylcarbamate has a molecular weight of 157.58 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-chlorosulfinylcarbamate is sourced from PubChem (CID 20563467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).