(3,5-dichlorophenyl) hydrogen sulfite

C6H4Cl2O3S — CID 67303764

IUPAC(3,5-dichlorophenyl) hydrogen sulfite
SMILESO=S(O)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H4Cl2O3S/c7-4-1-5(8)3-6(2-4)11-12(9)10/h1-3H,(H,9,10)
InChIKeyBPCAHMANGSKRQS-UHFFFAOYSA-N
MW227.07 g/mol
LogP2.51
Rot. Bonds2

About (3,5-dichlorophenyl) hydrogen sulfite

(3,5-dichlorophenyl) hydrogen sulfite (PubChem CID 67303764) has the molecular formula C6H4Cl2O3S and a molecular weight of 227.07 g/mol. Its IUPAC name is (3,5-dichlorophenyl) hydrogen sulfite.

Molecular Properties

Compound Name(3,5-dichlorophenyl) hydrogen sulfite
PubChem CID67303764
Molecular FormulaC6H4Cl2O3S
Molecular Weight227.07 g/mol
Exact Mass225.93
IUPAC Name(3,5-dichlorophenyl) hydrogen sulfite
SMILESO=S(O)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H4Cl2O3S/c7-4-1-5(8)3-6(2-4)11-12(9)10/h1-3H,(H,9,10)
InChIKeyBPCAHMANGSKRQS-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(3,5-dichlorophenyl) carbonate
CID 139771619
(4-chloro-3-ethylphenyl) hydrogen sulfite
CID 57231070
(2-amino-4,5-dichlorophenyl) hydrogen sulfite
CID 57252176
CID 58352917
CID 58352917
methane;tris(1,3,5-trichlorobenzene)
CID 175444750
sulfane;1,3,5-trichlorobenzene
CID 174951805
(3,5-dichlorophenyl) 2,2,2-trifluoroacetate
CID 91695317
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078
(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate
CID 54435350
sulfurochloridic acid;1,3,5-trichlorobenzene
CID 88739685
(2,3,5,6-tetramethylphenyl) hydrogen sulfite
CID 174619085

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) hydrogen sulfite?
The IUPAC name of (3,5-dichlorophenyl) hydrogen sulfite (CID 67303764) is (3,5-dichlorophenyl) hydrogen sulfite.
What is the SMILES notation for (3,5-dichlorophenyl) hydrogen sulfite?
The canonical SMILES for (3,5-dichlorophenyl) hydrogen sulfite is O=S(O)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl) hydrogen sulfite?
The InChIKey is BPCAHMANGSKRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O3S/c7-4-1-5(8)3-6(2-4)11-12(9)10/h1-3H,(H,9,10).
What are the key properties of (3,5-dichlorophenyl) hydrogen sulfite?
(3,5-dichlorophenyl) hydrogen sulfite has a molecular weight of 227.07 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) hydrogen sulfite is sourced from PubChem (CID 67303764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).