methyl 2-chloroprop-2-ene-1-sulfinate

C4H7ClO2S — CID 119095600

IUPACmethyl 2-chloroprop-2-ene-1-sulfinate
SMILESC=C(Cl)CS(=O)OC
InChIInChI=1S/C4H7ClO2S/c1-4(5)3-8(6)7-2/h1,3H2,2H3
InChIKeyYBLOBNJKIQPZMK-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.05
Rot. Bonds3

About methyl 2-chloroprop-2-ene-1-sulfinate

methyl 2-chloroprop-2-ene-1-sulfinate (PubChem CID 119095600) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is methyl 2-chloroprop-2-ene-1-sulfinate.

Molecular Properties

Compound Namemethyl 2-chloroprop-2-ene-1-sulfinate
PubChem CID119095600
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Namemethyl 2-chloroprop-2-ene-1-sulfinate
SMILESC=C(Cl)CS(=O)OC
InChIInChI=1S/C4H7ClO2S/c1-4(5)3-8(6)7-2/h1,3H2,2H3
InChIKeyYBLOBNJKIQPZMK-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloroprop-2-ene-1-sulfinate?
The IUPAC name of methyl 2-chloroprop-2-ene-1-sulfinate (CID 119095600) is methyl 2-chloroprop-2-ene-1-sulfinate.
What is the SMILES notation for methyl 2-chloroprop-2-ene-1-sulfinate?
The canonical SMILES for methyl 2-chloroprop-2-ene-1-sulfinate is C=C(Cl)CS(=O)OC.
What is the InChIKey of methyl 2-chloroprop-2-ene-1-sulfinate?
The InChIKey is YBLOBNJKIQPZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-4(5)3-8(6)7-2/h1,3H2,2H3.
What are the key properties of methyl 2-chloroprop-2-ene-1-sulfinate?
methyl 2-chloroprop-2-ene-1-sulfinate has a molecular weight of 154.62 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloroprop-2-ene-1-sulfinate is sourced from PubChem (CID 119095600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).