2-fluoro-4-methylbenzenecarbothioyl chloride

C8H6ClFS — CID 135378682

IUPAC2-fluoro-4-methylbenzenecarbothioyl chloride
SMILESCc1ccc(C(=S)Cl)c(F)c1
InChIInChI=1S/C8H6ClFS/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4H,1H3
InChIKeyAPSBPZKWGAZIPU-UHFFFAOYSA-N
MW188.65 g/mol
LogP3.05
Rot. Bonds1

About 2-fluoro-4-methylbenzenecarbothioyl chloride

2-fluoro-4-methylbenzenecarbothioyl chloride (PubChem CID 135378682) has the molecular formula C8H6ClFS and a molecular weight of 188.65 g/mol. Its IUPAC name is 2-fluoro-4-methylbenzenecarbothioyl chloride.

Molecular Properties

Compound Name2-fluoro-4-methylbenzenecarbothioyl chloride
PubChem CID135378682
Molecular FormulaC8H6ClFS
Molecular Weight188.65 g/mol
Exact Mass187.99
IUPAC Name2-fluoro-4-methylbenzenecarbothioyl chloride
SMILESCc1ccc(C(=S)Cl)c(F)c1
InChIInChI=1S/C8H6ClFS/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4H,1H3
InChIKeyAPSBPZKWGAZIPU-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-fluoro-4-methylbenzenecarbothioyl chloride 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

ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
1-(2-fluoro-4-methylphenyl)-3-methylbut-2-en-1-one
CID 115780792
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
(3,4,5-trimethylphenyl) 2-fluoro-4-methylbenzoate
CID 20683321
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylbenzenecarbothioyl chloride?
The IUPAC name of 2-fluoro-4-methylbenzenecarbothioyl chloride (CID 135378682) is 2-fluoro-4-methylbenzenecarbothioyl chloride.
What is the SMILES notation for 2-fluoro-4-methylbenzenecarbothioyl chloride?
The canonical SMILES for 2-fluoro-4-methylbenzenecarbothioyl chloride is Cc1ccc(C(=S)Cl)c(F)c1.
What is the InChIKey of 2-fluoro-4-methylbenzenecarbothioyl chloride?
The InChIKey is APSBPZKWGAZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFS/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4H,1H3.
What are the key properties of 2-fluoro-4-methylbenzenecarbothioyl chloride?
2-fluoro-4-methylbenzenecarbothioyl chloride has a molecular weight of 188.65 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylbenzenecarbothioyl chloride is sourced from PubChem (CID 135378682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).