2-chloro-5-methylthiophene-3-sulfinate

C5H4ClO2S2- — CID 174585904

IUPAC2-chloro-5-methylthiophene-3-sulfinate
SMILESCc1cc(S(=O)[O-])c(Cl)s1
InChIInChI=1S/C5H5ClO2S2/c1-3-2-4(10(7)8)5(6)9-3/h2H,1H3,(H,7,8)/p-1
InChIKeyFUHLBXDFNPKOAK-UHFFFAOYSA-M
MW195.67 g/mol
LogP1.95
Rot. Bonds1

About 2-chloro-5-methylthiophene-3-sulfinate

2-chloro-5-methylthiophene-3-sulfinate (PubChem CID 174585904) has the molecular formula C5H4ClO2S2- and a molecular weight of 195.67 g/mol. Its IUPAC name is 2-chloro-5-methylthiophene-3-sulfinate.

Molecular Properties

Compound Name2-chloro-5-methylthiophene-3-sulfinate
PubChem CID174585904
Molecular FormulaC5H4ClO2S2-
Molecular Weight195.67 g/mol
Exact Mass194.93
IUPAC Name2-chloro-5-methylthiophene-3-sulfinate
SMILESCc1cc(S(=O)[O-])c(Cl)s1
InChIInChI=1S/C5H5ClO2S2/c1-3-2-4(10(7)8)5(6)9-3/h2H,1H3,(H,7,8)/p-1
InChIKeyFUHLBXDFNPKOAK-UHFFFAOYSA-M
XLogP1.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylthiophene-3-sulfinate?
The IUPAC name of 2-chloro-5-methylthiophene-3-sulfinate (CID 174585904) is 2-chloro-5-methylthiophene-3-sulfinate.
What is the SMILES notation for 2-chloro-5-methylthiophene-3-sulfinate?
The canonical SMILES for 2-chloro-5-methylthiophene-3-sulfinate is Cc1cc(S(=O)[O-])c(Cl)s1.
What is the InChIKey of 2-chloro-5-methylthiophene-3-sulfinate?
The InChIKey is FUHLBXDFNPKOAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5ClO2S2/c1-3-2-4(10(7)8)5(6)9-3/h2H,1H3,(H,7,8)/p-1.
What are the key properties of 2-chloro-5-methylthiophene-3-sulfinate?
2-chloro-5-methylthiophene-3-sulfinate has a molecular weight of 195.67 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylthiophene-3-sulfinate is sourced from PubChem (CID 174585904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).