(2,6-dichlorophenyl)methyl thiohypochlorite

C7H5Cl3S — CID 141002030

IUPAC(2,6-dichlorophenyl)methyl thiohypochlorite
SMILESClSCc1c(Cl)cccc1Cl
InChIInChI=1S/C7H5Cl3S/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3H,4H2
InChIKeyHULRVWFXCLHEFP-UHFFFAOYSA-N
MW227.54 g/mol
LogP4.38
Rot. Bonds2

About (2,6-dichlorophenyl)methyl thiohypochlorite

(2,6-dichlorophenyl)methyl thiohypochlorite (PubChem CID 141002030) has the molecular formula C7H5Cl3S and a molecular weight of 227.54 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl thiohypochlorite.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl thiohypochlorite
PubChem CID141002030
Molecular FormulaC7H5Cl3S
Molecular Weight227.54 g/mol
Exact Mass225.92
IUPAC Name(2,6-dichlorophenyl)methyl thiohypochlorite
SMILESClSCc1c(Cl)cccc1Cl
InChIInChI=1S/C7H5Cl3S/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3H,4H2
InChIKeyHULRVWFXCLHEFP-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-2-(ethylsulfanylmethyl)benzene
CID 59881902
[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
CID 3733113
2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol
CID 115659330
2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene
CID 2819600
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
CID 139083206
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene
CID 142244239
S-[(2,6-dichlorophenyl)methyl] 3-[(2,6-dichlorophenyl)methylsulfanyl]propanethioate
CID 12816884
2-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135473089
4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
CID 115945221
ethyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate
CID 3462065

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl thiohypochlorite?
The IUPAC name of (2,6-dichlorophenyl)methyl thiohypochlorite (CID 141002030) is (2,6-dichlorophenyl)methyl thiohypochlorite.
What is the SMILES notation for (2,6-dichlorophenyl)methyl thiohypochlorite?
The canonical SMILES for (2,6-dichlorophenyl)methyl thiohypochlorite is ClSCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl thiohypochlorite?
The InChIKey is HULRVWFXCLHEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3S/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3H,4H2.
What are the key properties of (2,6-dichlorophenyl)methyl thiohypochlorite?
(2,6-dichlorophenyl)methyl thiohypochlorite has a molecular weight of 227.54 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl thiohypochlorite is sourced from PubChem (CID 141002030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).