1-chloro-4-(dichloromethylsulfanyl)benzene

C7H5Cl3S — CID 15869632

IUPAC1-chloro-4-(dichloromethylsulfanyl)benzene
SMILESClc1ccc(SC(Cl)Cl)cc1
InChIInChI=1S/C7H5Cl3S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeyOPWHBKXIIIGUKQ-UHFFFAOYSA-N
MW227.54 g/mol
LogP4.19
Rot. Bonds2

About 1-chloro-4-(dichloromethylsulfanyl)benzene

1-chloro-4-(dichloromethylsulfanyl)benzene (PubChem CID 15869632) has the molecular formula C7H5Cl3S and a molecular weight of 227.54 g/mol. Its IUPAC name is 1-chloro-4-(dichloromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(dichloromethylsulfanyl)benzene
PubChem CID15869632
Molecular FormulaC7H5Cl3S
Molecular Weight227.54 g/mol
Exact Mass225.92
IUPAC Name1-chloro-4-(dichloromethylsulfanyl)benzene
SMILESClc1ccc(SC(Cl)Cl)cc1
InChIInChI=1S/C7H5Cl3S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeyOPWHBKXIIIGUKQ-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.54
LogP ≤ 54.19
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

1,4-bis(dichloromethylsulfanyl)benzene
CID 21224776
1-chloro-4-(1-chloropropylsulfanyl)benzene
CID 10036440
1-chloro-4-(1,2,2-trichloropropylsulfanyl)benzene
CID 13419823
1-chloro-4-[(E,2R)-pent-3-en-2-yl]sulfanylbenzene
CID 10998347
3-(4-chlorophenyl)sulfanylbutan-1-amine
CID 60914334
(4-chlorophenyl) thiohypobromite
CID 12623145
[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane
CID 12605864
1-chloro-4-(1,2,2,3,3,4,4-heptafluorobutylsulfanyl)benzene
CID 11151555
1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene
CID 135063510
methyl N-[(1S)-2,2-dichloro-1-(4-chlorophenyl)sulfanylethyl]carbamate
CID 786389
2-(4-chlorophenyl)sulfanyl-2-cyclohexylacetonitrile
CID 78965843
azane;1,4-dichlorobenzene
CID 69330361

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(dichloromethylsulfanyl)benzene?
The IUPAC name of 1-chloro-4-(dichloromethylsulfanyl)benzene (CID 15869632) is 1-chloro-4-(dichloromethylsulfanyl)benzene.
What is the SMILES notation for 1-chloro-4-(dichloromethylsulfanyl)benzene?
The canonical SMILES for 1-chloro-4-(dichloromethylsulfanyl)benzene is Clc1ccc(SC(Cl)Cl)cc1.
What is the InChIKey of 1-chloro-4-(dichloromethylsulfanyl)benzene?
The InChIKey is OPWHBKXIIIGUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H.
What are the key properties of 1-chloro-4-(dichloromethylsulfanyl)benzene?
1-chloro-4-(dichloromethylsulfanyl)benzene has a molecular weight of 227.54 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(dichloromethylsulfanyl)benzene is sourced from PubChem (CID 15869632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).