2,6-dichlorobenzenesulfinic acid

C6H4Cl2O2S — CID 13381876

IUPAC2,6-dichlorobenzenesulfinic acid
SMILESO=S(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O2S/c7-4-2-1-3-5(8)6(4)11(9)10/h1-3H,(H,9,10)
InChIKeyPXFQJDOKMKEDQY-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.57
Rot. Bonds1

About 2,6-dichlorobenzenesulfinic acid

2,6-dichlorobenzenesulfinic acid (PubChem CID 13381876) has the molecular formula C6H4Cl2O2S and a molecular weight of 211.07 g/mol. Its IUPAC name is 2,6-dichlorobenzenesulfinic acid.

Molecular Properties

Compound Name2,6-dichlorobenzenesulfinic acid
PubChem CID13381876
Molecular FormulaC6H4Cl2O2S
Molecular Weight211.07 g/mol
Exact Mass209.93
IUPAC Name2,6-dichlorobenzenesulfinic acid
SMILESO=S(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O2S/c7-4-2-1-3-5(8)6(4)11(9)10/h1-3H,(H,9,10)
InChIKeyPXFQJDOKMKEDQY-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-[(S)-methylsulfinyl]benzene
CID 95212287
2-amino-3,6-dichlorobenzenesulfinic acid
CID 57078387
sodium 2,6-dichlorobenzenesulfinate
CID 18345412
2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid
CID 91069097
3-chloro-2-cyanobenzenesulfinic acid
CID 57142759
2-chloro-6-methylbenzenesulfinate
CID 57032753
4-(2,6-dichlorophenyl)sulfinylbutanoic acid
CID 115477555
2,6-dimethoxybenzenesulfinic acid
CID 12746143
5-(2,6-dichlorophenyl)sulfinylpentanoic acid
CID 115477563
2-bromo-1,3-dichlorobenzene;formaldehyde
CID 174574164
6-chloro-2-methoxycarbonyl-3-phenylbenzenesulfinic acid
CID 174378946
4-chloronaphthalene-1-sulfinic acid
CID 20524871

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzenesulfinic acid?
The IUPAC name of 2,6-dichlorobenzenesulfinic acid (CID 13381876) is 2,6-dichlorobenzenesulfinic acid.
What is the SMILES notation for 2,6-dichlorobenzenesulfinic acid?
The canonical SMILES for 2,6-dichlorobenzenesulfinic acid is O=S(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzenesulfinic acid?
The InChIKey is PXFQJDOKMKEDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2S/c7-4-2-1-3-5(8)6(4)11(9)10/h1-3H,(H,9,10).
What are the key properties of 2,6-dichlorobenzenesulfinic acid?
2,6-dichlorobenzenesulfinic acid has a molecular weight of 211.07 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzenesulfinic acid is sourced from PubChem (CID 13381876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).