1-chloro-4-(tribromomethylsulfinyl)benzene

C7H4Br3ClOS — CID 23535143

IUPAC1-chloro-4-(tribromomethylsulfinyl)benzene
SMILESO=S(c1ccc(Cl)cc1)C(Br)(Br)Br
InChIInChI=1S/C7H4Br3ClOS/c8-7(9,10)13(12)6-3-1-5(11)2-4-6/h1-4H
InChIKeyFIXIXHJMNMJSGM-UHFFFAOYSA-N
MW411.34 g/mol
LogP4.24
Rot. Bonds1

About 1-chloro-4-(tribromomethylsulfinyl)benzene

1-chloro-4-(tribromomethylsulfinyl)benzene (PubChem CID 23535143) has the molecular formula C7H4Br3ClOS and a molecular weight of 411.34 g/mol. Its IUPAC name is 1-chloro-4-(tribromomethylsulfinyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(tribromomethylsulfinyl)benzene
PubChem CID23535143
Molecular FormulaC7H4Br3ClOS
Molecular Weight411.34 g/mol
Exact Mass407.72
IUPAC Name1-chloro-4-(tribromomethylsulfinyl)benzene
SMILESO=S(c1ccc(Cl)cc1)C(Br)(Br)Br
InChIInChI=1S/C7H4Br3ClOS/c8-7(9,10)13(12)6-3-1-5(11)2-4-6/h1-4H
InChIKeyFIXIXHJMNMJSGM-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfinyl-2,2-difluoroacetic acid
CID 81216936
1-chloro-4-[(1S)-1-chloroethyl]sulfinylbenzene
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1-(benzenesulfinylsulfinyl)-4-chlorobenzene
CID 57199201
4-chloro-N-methylbenzenesulfinamide
CID 143373382
4-(4-chlorophenyl)benzenesulfinate
CID 67601139
1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene
CID 101074890
1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene
CID 12641324
1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154124087
2-(4-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303324
azane;1,4-dichlorobenzene
CID 69330361
3-(4-chlorophenyl)sulfinylpropan-1-amine
CID 58684884
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(tribromomethylsulfinyl)benzene?
The IUPAC name of 1-chloro-4-(tribromomethylsulfinyl)benzene (CID 23535143) is 1-chloro-4-(tribromomethylsulfinyl)benzene.
What is the SMILES notation for 1-chloro-4-(tribromomethylsulfinyl)benzene?
The canonical SMILES for 1-chloro-4-(tribromomethylsulfinyl)benzene is O=S(c1ccc(Cl)cc1)C(Br)(Br)Br.
What is the InChIKey of 1-chloro-4-(tribromomethylsulfinyl)benzene?
The InChIKey is FIXIXHJMNMJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3ClOS/c8-7(9,10)13(12)6-3-1-5(11)2-4-6/h1-4H.
What are the key properties of 1-chloro-4-(tribromomethylsulfinyl)benzene?
1-chloro-4-(tribromomethylsulfinyl)benzene has a molecular weight of 411.34 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(tribromomethylsulfinyl)benzene is sourced from PubChem (CID 23535143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).