4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride

C5H7ClO2S2 — CID 87552031

IUPAC4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride
SMILESCC1=C(S(=O)(=O)Cl)CSC1
InChIInChI=1S/C5H7ClO2S2/c1-4-2-9-3-5(4)10(6,7)8/h2-3H2,1H3
InChIKeyJRVVGLOFUVCPAF-UHFFFAOYSA-N
MW198.70 g/mol
LogP1.58
Rot. Bonds1

About 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride

4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride (PubChem CID 87552031) has the molecular formula C5H7ClO2S2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride
PubChem CID87552031
Molecular FormulaC5H7ClO2S2
Molecular Weight198.70 g/mol
Exact Mass197.96
IUPAC Name4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride
SMILESCC1=C(S(=O)(=O)Cl)CSC1
InChIInChI=1S/C5H7ClO2S2/c1-4-2-9-3-5(4)10(6,7)8/h2-3H2,1H3
InChIKeyJRVVGLOFUVCPAF-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride?
The IUPAC name of 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride (CID 87552031) is 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride?
The canonical SMILES for 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride is CC1=C(S(=O)(=O)Cl)CSC1.
What is the InChIKey of 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride?
The InChIKey is JRVVGLOFUVCPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2S2/c1-4-2-9-3-5(4)10(6,7)8/h2-3H2,1H3.
What are the key properties of 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride?
4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride has a molecular weight of 198.70 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride is sourced from PubChem (CID 87552031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).