(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite

C7H5Cl2FOS — CID 172620902

IUPAC(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
SMILESCOc1cc(F)c(SCl)cc1Cl
InChIInChI=1S/C7H5Cl2FOS/c1-11-6-3-5(10)7(12-9)2-4(6)8/h2-3H,1H3
InChIKeyGTMCILMLDKYLNX-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.73
Rot. Bonds2

About (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite

(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite (PubChem CID 172620902) has the molecular formula C7H5Cl2FOS and a molecular weight of 227.09 g/mol. Its IUPAC name is (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite.

Molecular Properties

Compound Name(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
PubChem CID172620902
Molecular FormulaC7H5Cl2FOS
Molecular Weight227.09 g/mol
Exact Mass225.94
IUPAC Name(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
SMILESCOc1cc(F)c(SCl)cc1Cl
InChIInChI=1S/C7H5Cl2FOS/c1-11-6-3-5(10)7(12-9)2-4(6)8/h2-3H,1H3
InChIKeyGTMCILMLDKYLNX-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dichloro-2-methoxy-5-methylsulfanylbenzene
CID 164892037
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-bromo-4-chloro-2-fluoro-5-methoxybenzene;4-chloro-2-fluoro-5-methoxyaniline
CID 158676801
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
2-(5-chloro-2,4-dimethoxyphenyl)sulfanylpropanoic acid
CID 134098228

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite?
The IUPAC name of (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite (CID 172620902) is (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite.
What is the SMILES notation for (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite?
The canonical SMILES for (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite is COc1cc(F)c(SCl)cc1Cl.
What is the InChIKey of (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite?
The InChIKey is GTMCILMLDKYLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FOS/c1-11-6-3-5(10)7(12-9)2-4(6)8/h2-3H,1H3.
What are the key properties of (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite?
(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite has a molecular weight of 227.09 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite is sourced from PubChem (CID 172620902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).