(Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride

C4H6Cl2O2S — CID 139720179

IUPAC(Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride
SMILESC/C(=C/Cl)CS(=O)(=O)Cl
InChIInChI=1S/C4H6Cl2O2S/c1-4(2-5)3-9(6,7)8/h2H,3H2,1H3/b4-2-
InChIKeyXVVJLSQSWLFUDY-RQOWECAXSA-N
MW189.06 g/mol
LogP1.70
Rot. Bonds2

About (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride

(Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride (PubChem CID 139720179) has the molecular formula C4H6Cl2O2S and a molecular weight of 189.06 g/mol. Its IUPAC name is (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride
PubChem CID139720179
Molecular FormulaC4H6Cl2O2S
Molecular Weight189.06 g/mol
Exact Mass187.95
IUPAC Name(Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride
SMILESC/C(=C/Cl)CS(=O)(=O)Cl
InChIInChI=1S/C4H6Cl2O2S/c1-4(2-5)3-9(6,7)8/h2H,3H2,1H3/b4-2-
InChIKeyXVVJLSQSWLFUDY-RQOWECAXSA-N
XLogP1.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Chloromethyl)prop-2-ene-1-sulfonyl fluoride
CID 165863382
(Z)-3-chloro-2-methylprop-2-ene-1-sulfonic acid
CID 20242370
3-Chloro-2-methylprop-2-ene-1-sulfonic acid
CID 54440796
CID 85727298
CID 85727298
CID 85727302
CID 85727302
(E)-3-chloro-2-methylprop-2-ene-1-sulfonic acid
CID 133617114
(2Z)-3-Chloro-2-methylprop-2-ene-1-sulfonamide
CID 139720177
Chloroethane;prop-2-ene-1-sulfonyl chloride
CID 174586932
1-Chloro-3-methylbut-2-ene-1-sulfonyl chloride
CID 55279334
2-(Chloromethyl)prop-2-ene-1-sulfonyl chloride
CID 121553089
3-Chloro-2-methylprop-2-ene-1-sulfonamide
CID 122235587
(E)-3-chloro-2-methylprop-1-ene-1-sulfonic acid
CID 133619244

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride (CID 139720179) is (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride is C/C(=C/Cl)CS(=O)(=O)Cl.
What is the InChIKey of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride?
The InChIKey is XVVJLSQSWLFUDY-RQOWECAXSA-N. The full InChI is InChI=1S/C4H6Cl2O2S/c1-4(2-5)3-9(6,7)8/h2H,3H2,1H3/b4-2-.
What are the key properties of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride?
(Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride has a molecular weight of 189.06 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-methylprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 139720179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).