(2-fluoro-5-methylphenyl) thiohypochlorite

C7H6ClFS — CID 126731681

IUPAC(2-fluoro-5-methylphenyl) thiohypochlorite
SMILESCc1ccc(F)c(SCl)c1
InChIInChI=1S/C7H6ClFS/c1-5-2-3-6(9)7(4-5)10-8/h2-4H,1H3
InChIKeyWEBVSYRMILDCLT-UHFFFAOYSA-N
MW176.64 g/mol
LogP3.38
Rot. Bonds1

About (2-fluoro-5-methylphenyl) thiohypochlorite

(2-fluoro-5-methylphenyl) thiohypochlorite (PubChem CID 126731681) has the molecular formula C7H6ClFS and a molecular weight of 176.64 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl) thiohypochlorite
PubChem CID126731681
Molecular FormulaC7H6ClFS
Molecular Weight176.64 g/mol
Exact Mass175.99
IUPAC Name(2-fluoro-5-methylphenyl) thiohypochlorite
SMILESCc1ccc(F)c(SCl)c1
InChIInChI=1S/C7H6ClFS/c1-5-2-3-6(9)7(4-5)10-8/h2-4H,1H3
InChIKeyWEBVSYRMILDCLT-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
sodium 2-fluoro-4-methyl-1-sulfenatobenzene
CID 142318520
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
2-fluoro-N,N,5-trimethylaniline
CID 118521335
1-(5-chloro-2-fluorophenyl)-2-iodo-4-methylbenzene
CID 172676581
trifluoro-(2-fluoro-5-methylphenyl)boranuide
CID 10420845
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl) thiohypochlorite?
The IUPAC name of (2-fluoro-5-methylphenyl) thiohypochlorite (CID 126731681) is (2-fluoro-5-methylphenyl) thiohypochlorite.
What is the SMILES notation for (2-fluoro-5-methylphenyl) thiohypochlorite?
The canonical SMILES for (2-fluoro-5-methylphenyl) thiohypochlorite is Cc1ccc(F)c(SCl)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl) thiohypochlorite?
The InChIKey is WEBVSYRMILDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFS/c1-5-2-3-6(9)7(4-5)10-8/h2-4H,1H3.
What are the key properties of (2-fluoro-5-methylphenyl) thiohypochlorite?
(2-fluoro-5-methylphenyl) thiohypochlorite has a molecular weight of 176.64 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl) thiohypochlorite is sourced from PubChem (CID 126731681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).