(E)-prop-1-ene-1-sulfonyl chloride

C3H5ClO2S — CID 12508394

IUPAC(E)-prop-1-ene-1-sulfonyl chloride
SMILESC/C=C/S(=O)(=O)Cl
InChIInChI=1S/C3H5ClO2S/c1-2-3-7(4,5)6/h2-3H,1H3/b3-2+
InChIKeyGZYRNGLILQCDRQ-NSCUHMNNSA-N
MW140.59 g/mol
LogP1.09
Rot. Bonds1

About (E)-prop-1-ene-1-sulfonyl chloride

(E)-prop-1-ene-1-sulfonyl chloride (PubChem CID 12508394) has the molecular formula C3H5ClO2S and a molecular weight of 140.59 g/mol. Its IUPAC name is (E)-prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-prop-1-ene-1-sulfonyl chloride
PubChem CID12508394
Molecular FormulaC3H5ClO2S
Molecular Weight140.59 g/mol
Exact Mass139.97
IUPAC Name(E)-prop-1-ene-1-sulfonyl chloride
SMILESC/C=C/S(=O)(=O)Cl
InChIInChI=1S/C3H5ClO2S/c1-2-3-7(4,5)6/h2-3H,1H3/b3-2+
InChIKeyGZYRNGLILQCDRQ-NSCUHMNNSA-N
XLogP1.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sodium 2-propene-1-sulfonate
CID 23690996
Prop-2-ene-1-sulfonyl chloride
CID 534496
(1E)-1-methanesulfonylprop-1-ene
CID 21718329
(E)-1-Methylsulfanylsulfonylprop-1-ene
CID 5352794
Prop-1-ene-1-sulfonyl fluoride
CID 21646930
1-Propenyl methanethiosulfonate
CID 5352791
(Z)-1-methylsulfonylsulfanylprop-1-ene
CID 15931481
Propylensulfonsaure
CID 12508396
Propanensulfonic acid
CID 54231337
Propenyl sulfone
CID 5988636
2-Propene-1-sulfonic acid, ion(1-)
CID 4447605
1-Methylsulfonylsulfanylprop-1-ene
CID 529381

Frequently Asked Questions

What is the IUPAC name of (E)-prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (E)-prop-1-ene-1-sulfonyl chloride (CID 12508394) is (E)-prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-prop-1-ene-1-sulfonyl chloride is C/C=C/S(=O)(=O)Cl.
What is the InChIKey of (E)-prop-1-ene-1-sulfonyl chloride?
The InChIKey is GZYRNGLILQCDRQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H5ClO2S/c1-2-3-7(4,5)6/h2-3H,1H3/b3-2+.
What are the key properties of (E)-prop-1-ene-1-sulfonyl chloride?
(E)-prop-1-ene-1-sulfonyl chloride has a molecular weight of 140.59 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 12508394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).