2-methylprop-1-ene-1-sulfonyl chloride

C4H7ClO2S — CID 18354752

IUPAC2-methylprop-1-ene-1-sulfonyl chloride
SMILESCC(C)=CS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-4(2)3-8(5,6)7/h3H,1-2H3
InChIKeyKNGISTOICVEFGW-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.48
Rot. Bonds1

About 2-methylprop-1-ene-1-sulfonyl chloride

2-methylprop-1-ene-1-sulfonyl chloride (PubChem CID 18354752) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is 2-methylprop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methylprop-1-ene-1-sulfonyl chloride
PubChem CID18354752
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Name2-methylprop-1-ene-1-sulfonyl chloride
SMILESCC(C)=CS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-4(2)3-8(5,6)7/h3H,1-2H3
InChIKeyKNGISTOICVEFGW-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sodium methallylsulfonate
CID 23663624
2-Methylprop-2-ene-1-sulfonyl chloride
CID 12186909
Isobu-tylene sulfonic acid
CID 14981884
2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)
CID 3262020
2-Methylprop-2-ene-1-sulfonyl fluoride
CID 12186910
Sodium isobutylene sulfonate
CID 101640369
2-Methylprop-1-ene-1-sulfonyl fluoride
CID 88781101
Sodium 2-methylprop-2-ene-1-sulfinate
CID 138981384
2-Methylprop-2-ene-1-sulfinate
CID 5035958
1-(Methanesulfonyl)-2-methylprop-1-ene
CID 13264619
2-Methyl-1-(2-methylprop-1-enylsulfonyl)prop-1-ene
CID 13583721
2-Methylprop-1-ene-1-sulfinate
CID 20343128

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene-1-sulfonyl chloride?
The IUPAC name of 2-methylprop-1-ene-1-sulfonyl chloride (CID 18354752) is 2-methylprop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for 2-methylprop-1-ene-1-sulfonyl chloride?
The canonical SMILES for 2-methylprop-1-ene-1-sulfonyl chloride is CC(C)=CS(=O)(=O)Cl.
What is the InChIKey of 2-methylprop-1-ene-1-sulfonyl chloride?
The InChIKey is KNGISTOICVEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-4(2)3-8(5,6)7/h3H,1-2H3.
What are the key properties of 2-methylprop-1-ene-1-sulfonyl chloride?
2-methylprop-1-ene-1-sulfonyl chloride has a molecular weight of 154.62 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 18354752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).