(2,6-dichlorophenyl) sulfite

C6H3Cl2O3S- — CID 57114044

IUPAC(2,6-dichlorophenyl) sulfite
SMILESO=S([O-])Oc1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O3S/c7-4-2-1-3-5(8)6(4)11-12(9)10/h1-3H,(H,9,10)/p-1
InChIKeyYOBHQPACELBJMH-UHFFFAOYSA-M
MW226.06 g/mol
LogP2.17
Rot. Bonds2

About (2,6-dichlorophenyl) sulfite

(2,6-dichlorophenyl) sulfite (PubChem CID 57114044) has the molecular formula C6H3Cl2O3S- and a molecular weight of 226.06 g/mol. Its IUPAC name is (2,6-dichlorophenyl) sulfite.

Molecular Properties

Compound Name(2,6-dichlorophenyl) sulfite
PubChem CID57114044
Molecular FormulaC6H3Cl2O3S-
Molecular Weight226.06 g/mol
Exact Mass224.92
IUPAC Name(2,6-dichlorophenyl) sulfite
SMILESO=S([O-])Oc1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O3S/c7-4-2-1-3-5(8)6(4)11-12(9)10/h1-3H,(H,9,10)/p-1
InChIKeyYOBHQPACELBJMH-UHFFFAOYSA-M
XLogP2.17
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 2,6-dichlorobenzenesulfinate
CID 18345412
CID 166681273
CID 166681273
phenyl sulfite
CID 14972829
sodium 8-chloronaphthalene-2-sulfinate
CID 23706328
potassium phenyl sulfite
CID 162337240
sodium phenyl sulfite
CID 68748465
magnesium;hydride;naphthalen-1-yl sulfite
CID 174653300
(5-aminonaphthalen-1-yl) sulfite
CID 67552132
(15,30-dichloro-5,12,20,27-tetraoxo-29-sulfinatooxy-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaen-14-yl) sulfite
CID 59236818
2-chloro-6-methylbenzenesulfinate
CID 57032753
(2-methylnaphthalen-1-yl) sulfite
CID 57254590
(2-chloro-N-methylanilino) sulfite
CID 174954707

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl) sulfite?
The IUPAC name of (2,6-dichlorophenyl) sulfite (CID 57114044) is (2,6-dichlorophenyl) sulfite.
What is the SMILES notation for (2,6-dichlorophenyl) sulfite?
The canonical SMILES for (2,6-dichlorophenyl) sulfite is O=S([O-])Oc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl) sulfite?
The InChIKey is YOBHQPACELBJMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O3S/c7-4-2-1-3-5(8)6(4)11-12(9)10/h1-3H,(H,9,10)/p-1.
What are the key properties of (2,6-dichlorophenyl) sulfite?
(2,6-dichlorophenyl) sulfite has a molecular weight of 226.06 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl) sulfite is sourced from PubChem (CID 57114044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).