5-bromo-2-fluorobenzenecarbothioyl chloride

C7H3BrClFS — CID 135378967

IUPAC5-bromo-2-fluorobenzenecarbothioyl chloride
SMILESFc1ccc(Br)cc1C(=S)Cl
InChIInChI=1S/C7H3BrClFS/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKeyLVDUMVTYQQNAEQ-UHFFFAOYSA-N
MW253.52 g/mol
LogP3.50
Rot. Bonds1

About 5-bromo-2-fluorobenzenecarbothioyl chloride

5-bromo-2-fluorobenzenecarbothioyl chloride (PubChem CID 135378967) has the molecular formula C7H3BrClFS and a molecular weight of 253.52 g/mol. Its IUPAC name is 5-bromo-2-fluorobenzenecarbothioyl chloride.

Molecular Properties

Compound Name5-bromo-2-fluorobenzenecarbothioyl chloride
PubChem CID135378967
Molecular FormulaC7H3BrClFS
Molecular Weight253.52 g/mol
Exact Mass251.88
IUPAC Name5-bromo-2-fluorobenzenecarbothioyl chloride
SMILESFc1ccc(Br)cc1C(=S)Cl
InChIInChI=1S/C7H3BrClFS/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKeyLVDUMVTYQQNAEQ-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 9331928
5-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879958
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
4-bromobenzene-1,2-dicarbonyl chloride
CID 14784692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluorobenzenecarbothioyl chloride?
The IUPAC name of 5-bromo-2-fluorobenzenecarbothioyl chloride (CID 135378967) is 5-bromo-2-fluorobenzenecarbothioyl chloride.
What is the SMILES notation for 5-bromo-2-fluorobenzenecarbothioyl chloride?
The canonical SMILES for 5-bromo-2-fluorobenzenecarbothioyl chloride is Fc1ccc(Br)cc1C(=S)Cl.
What is the InChIKey of 5-bromo-2-fluorobenzenecarbothioyl chloride?
The InChIKey is LVDUMVTYQQNAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFS/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H.
What are the key properties of 5-bromo-2-fluorobenzenecarbothioyl chloride?
5-bromo-2-fluorobenzenecarbothioyl chloride has a molecular weight of 253.52 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluorobenzenecarbothioyl chloride is sourced from PubChem (CID 135378967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).