1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite

C7H5Cl5S — CID 88502508

IUPAC1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite
SMILESClSCl.Clc1ccc(C(Cl)Cl)cc1
InChIInChI=1S/C7H5Cl3.Cl2S/c8-6-3-1-5(2-4-6)7(9)10;1-3-2/h1-4,7H;
InChIKeyIQLAMIFUEDNRAB-UHFFFAOYSA-N
MW298.45 g/mol
LogP5.84
Rot. Bonds1

About 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite

1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite (PubChem CID 88502508) has the molecular formula C7H5Cl5S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite.

Molecular Properties

Compound Name1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite
PubChem CID88502508
Molecular FormulaC7H5Cl5S
Molecular Weight298.45 g/mol
Exact Mass295.86
IUPAC Name1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite
SMILESClSCl.Clc1ccc(C(Cl)Cl)cc1
InChIInChI=1S/C7H5Cl3.Cl2S/c8-6-3-1-5(2-4-6)7(9)10;1-3-2/h1-4,7H;
InChIKeyIQLAMIFUEDNRAB-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.84
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-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
1-(dichloromethyl)-4-iodobenzene
CID 86210274
CID 70496086
CID 70496086
1-chloro-4-(dibromomethyl)benzene
CID 3017302
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
CID 151410924
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
dichloromethylbenzene
CID 7411
azane;1,4-dichlorobenzene
CID 69330361
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
CID 53356260

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite?
The IUPAC name of 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite (CID 88502508) is 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite.
What is the SMILES notation for 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite?
The canonical SMILES for 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite is ClSCl.Clc1ccc(C(Cl)Cl)cc1.
What is the InChIKey of 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite?
The InChIKey is IQLAMIFUEDNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3.Cl2S/c8-6-3-1-5(2-4-6)7(9)10;1-3-2/h1-4,7H;.
What are the key properties of 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite?
1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite has a molecular weight of 298.45 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(dichloromethyl)benzene;chloro thiohypochlorite is sourced from PubChem (CID 88502508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).