2-methylfuran-3-sulfonyl chloride

C5H5ClO3S — CID 55279700

IUPAC2-methylfuran-3-sulfonyl chloride
SMILESCc1occc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClO3S/c1-4-5(2-3-9-4)10(6,7)8/h2-3H,1H3
InChIKeyVGDFSVKPEQKKJG-UHFFFAOYSA-N
MW180.61 g/mol
LogP1.52
Rot. Bonds1

About 2-methylfuran-3-sulfonyl chloride

2-methylfuran-3-sulfonyl chloride (PubChem CID 55279700) has the molecular formula C5H5ClO3S and a molecular weight of 180.61 g/mol. Its IUPAC name is 2-methylfuran-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methylfuran-3-sulfonyl chloride
PubChem CID55279700
Molecular FormulaC5H5ClO3S
Molecular Weight180.61 g/mol
Exact Mass179.96
IUPAC Name2-methylfuran-3-sulfonyl chloride
SMILESCc1occc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClO3S/c1-4-5(2-3-9-4)10(6,7)8/h2-3H,1H3
InChIKeyVGDFSVKPEQKKJG-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.61
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylfuran
CID 10797
Methyl 2-methyl-3-furyl disulfide
CID 47649
2-Methyl-3-furanthiol
CID 34286
Bis(2-methyl-3-furyl)disulfide
CID 526624
2-Methyl-3-(methylthio)furan
CID 526618
Propyl 2-methyl-3-furyl disulfide
CID 43579
Furfuryl methyl disulfide
CID 62131
3-(Acetylthio)-2-methylfuran
CID 108765
3-(2-Furyl)acrolein
CID 12174
3-((2-Methyl-3-furyl)thio)-2-butanone
CID 12980878
bis(2-Methyl-3-furyl) tetrasulfide
CID 24832089
2-Furanacrolein
CID 1549521

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran-3-sulfonyl chloride?
The IUPAC name of 2-methylfuran-3-sulfonyl chloride (CID 55279700) is 2-methylfuran-3-sulfonyl chloride.
What is the SMILES notation for 2-methylfuran-3-sulfonyl chloride?
The canonical SMILES for 2-methylfuran-3-sulfonyl chloride is Cc1occc1S(=O)(=O)Cl.
What is the InChIKey of 2-methylfuran-3-sulfonyl chloride?
The InChIKey is VGDFSVKPEQKKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO3S/c1-4-5(2-3-9-4)10(6,7)8/h2-3H,1H3.
What are the key properties of 2-methylfuran-3-sulfonyl chloride?
2-methylfuran-3-sulfonyl chloride has a molecular weight of 180.61 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran-3-sulfonyl chloride is sourced from PubChem (CID 55279700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).