(2-chloro-4-methylphenyl) thiohypofluorite

C7H6ClFS — CID 144706929

IUPAC(2-chloro-4-methylphenyl) thiohypofluorite
SMILESCc1ccc(SF)c(Cl)c1
InChIInChI=1S/C7H6ClFS/c1-5-2-3-7(10-9)6(8)4-5/h2-4H,1H3
InChIKeyQNSOZORDXCPVLD-UHFFFAOYSA-N
MW176.64 g/mol
LogP3.63
Rot. Bonds1

About (2-chloro-4-methylphenyl) thiohypofluorite

(2-chloro-4-methylphenyl) thiohypofluorite (PubChem CID 144706929) has the molecular formula C7H6ClFS and a molecular weight of 176.64 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl) thiohypofluorite.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl) thiohypofluorite
PubChem CID144706929
Molecular FormulaC7H6ClFS
Molecular Weight176.64 g/mol
Exact Mass175.99
IUPAC Name(2-chloro-4-methylphenyl) thiohypofluorite
SMILESCc1ccc(SF)c(Cl)c1
InChIInChI=1S/C7H6ClFS/c1-5-2-3-7(10-9)6(8)4-5/h2-4H,1H3
InChIKeyQNSOZORDXCPVLD-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-chloro-4-methylphenyl) thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-2-chlorophenyl) thiohypofluorite
CID 144675924
5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole
CID 139624533
2-chloro-4-methylaniline
CID 12007
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
2,3-dichloro-6-methylnaphthalene
CID 21366530
2-(3,4-dichlorophenyl)sulfanyl-5-methylbenzonitrile
CID 114017358
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
1-chloro-2-ethylsulfanyl-4-methylbenzene
CID 91876402
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493
4-[2-(2-chloro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine
CID 11174944

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl) thiohypofluorite?
The IUPAC name of (2-chloro-4-methylphenyl) thiohypofluorite (CID 144706929) is (2-chloro-4-methylphenyl) thiohypofluorite.
What is the SMILES notation for (2-chloro-4-methylphenyl) thiohypofluorite?
The canonical SMILES for (2-chloro-4-methylphenyl) thiohypofluorite is Cc1ccc(SF)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl) thiohypofluorite?
The InChIKey is QNSOZORDXCPVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFS/c1-5-2-3-7(10-9)6(8)4-5/h2-4H,1H3.
What are the key properties of (2-chloro-4-methylphenyl) thiohypofluorite?
(2-chloro-4-methylphenyl) thiohypofluorite has a molecular weight of 176.64 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl) thiohypofluorite is sourced from PubChem (CID 144706929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).