3,4-dichloro-2-methylsulfinylbenzoyl chloride

C8H5Cl3O2S — CID 174353763

IUPAC3,4-dichloro-2-methylsulfinylbenzoyl chloride
SMILESCS(=O)c1c(C(=O)Cl)ccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl3O2S/c1-14(13)7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3
InChIKeyRKODRSHHWIYYOW-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.11
Rot. Bonds2

About 3,4-dichloro-2-methylsulfinylbenzoyl chloride

3,4-dichloro-2-methylsulfinylbenzoyl chloride (PubChem CID 174353763) has the molecular formula C8H5Cl3O2S and a molecular weight of 271.55 g/mol. Its IUPAC name is 3,4-dichloro-2-methylsulfinylbenzoyl chloride.

Molecular Properties

Compound Name3,4-dichloro-2-methylsulfinylbenzoyl chloride
PubChem CID174353763
Molecular FormulaC8H5Cl3O2S
Molecular Weight271.55 g/mol
Exact Mass269.91
IUPAC Name3,4-dichloro-2-methylsulfinylbenzoyl chloride
SMILESCS(=O)c1c(C(=O)Cl)ccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl3O2S/c1-14(13)7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3
InChIKeyRKODRSHHWIYYOW-UHFFFAOYSA-N
XLogP3.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(3,4-dichloro-2-methylsulfinylphenyl)propane-1,3-dione
CID 140992618
2,4-dichloro-3-methylbenzoyl chloride
CID 13235952
1-(2-chloro-5-methylsulfinylphenyl)ethanone
CID 23464958
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822
1,3-dichloro-2-[(S)-methylsulfinyl]benzene
CID 95212287
2-chloro-3,4-dimethylbenzoyl chloride
CID 173294556
3-carboxy-4-chlorobenzenesulfinate
CID 59706466
sodium;hydride;2,3,4-trichlorobenzoic acid
CID 174433618
5-amino-2-chlorobenzoyl chloride
CID 86092283
1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one
CID 50987811
2-(2-chloro-4-methylsulfinylbenzoyl)-3-cyclopropyl-3-oxopropanenitrile
CID 18978020
methyl 4-chloro-3-[[methyl(methylsulfonyl)amino]methyl]-2-methylsulfinylbenzoate
CID 140975636

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methylsulfinylbenzoyl chloride?
The IUPAC name of 3,4-dichloro-2-methylsulfinylbenzoyl chloride (CID 174353763) is 3,4-dichloro-2-methylsulfinylbenzoyl chloride.
What is the SMILES notation for 3,4-dichloro-2-methylsulfinylbenzoyl chloride?
The canonical SMILES for 3,4-dichloro-2-methylsulfinylbenzoyl chloride is CS(=O)c1c(C(=O)Cl)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methylsulfinylbenzoyl chloride?
The InChIKey is RKODRSHHWIYYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O2S/c1-14(13)7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3.
What are the key properties of 3,4-dichloro-2-methylsulfinylbenzoyl chloride?
3,4-dichloro-2-methylsulfinylbenzoyl chloride has a molecular weight of 271.55 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methylsulfinylbenzoyl chloride is sourced from PubChem (CID 174353763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).