2-fluoro-5-nitrobenzenecarbothioyl chloride

C7H3ClFNO2S — CID 135379049

IUPAC2-fluoro-5-nitrobenzenecarbothioyl chloride
SMILESO=[N+]([O-])c1ccc(F)c(C(=S)Cl)c1
InChIInChI=1S/C7H3ClFNO2S/c8-7(13)5-3-4(10(11)12)1-2-6(5)9/h1-3H
InChIKeySJGKIULTSDRTCQ-UHFFFAOYSA-N
MW219.62 g/mol
LogP2.65
Rot. Bonds2

About 2-fluoro-5-nitrobenzenecarbothioyl chloride

2-fluoro-5-nitrobenzenecarbothioyl chloride (PubChem CID 135379049) has the molecular formula C7H3ClFNO2S and a molecular weight of 219.62 g/mol. Its IUPAC name is 2-fluoro-5-nitrobenzenecarbothioyl chloride.

Molecular Properties

Compound Name2-fluoro-5-nitrobenzenecarbothioyl chloride
PubChem CID135379049
Molecular FormulaC7H3ClFNO2S
Molecular Weight219.62 g/mol
Exact Mass218.96
IUPAC Name2-fluoro-5-nitrobenzenecarbothioyl chloride
SMILESO=[N+]([O-])c1ccc(F)c(C(=S)Cl)c1
InChIInChI=1S/C7H3ClFNO2S/c8-7(13)5-3-4(10(11)12)1-2-6(5)9/h1-3H
InChIKeySJGKIULTSDRTCQ-UHFFFAOYSA-N
XLogP2.65
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-nitrobenzoyl chloride
CID 10420435
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
(Z)-1-(2-fluoro-5-nitrophenyl)but-2-en-1-one
CID 139227167
ethyl 2-fluoro-5-nitrobenzoate;2-fluoro-5-nitrobenzoic acid
CID 162132016
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
5-bromo-2-fluorobenzenecarbothioyl chloride
CID 135378967
2,5-dinitrobenzoyl chloride
CID 13033217
1-fluoro-4-nitro-2-(trichloromethyl)benzene
CID 23325896
7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone
CID 58087521
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitrobenzenecarbothioyl chloride?
The IUPAC name of 2-fluoro-5-nitrobenzenecarbothioyl chloride (CID 135379049) is 2-fluoro-5-nitrobenzenecarbothioyl chloride.
What is the SMILES notation for 2-fluoro-5-nitrobenzenecarbothioyl chloride?
The canonical SMILES for 2-fluoro-5-nitrobenzenecarbothioyl chloride is O=[N+]([O-])c1ccc(F)c(C(=S)Cl)c1.
What is the InChIKey of 2-fluoro-5-nitrobenzenecarbothioyl chloride?
The InChIKey is SJGKIULTSDRTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO2S/c8-7(13)5-3-4(10(11)12)1-2-6(5)9/h1-3H.
What are the key properties of 2-fluoro-5-nitrobenzenecarbothioyl chloride?
2-fluoro-5-nitrobenzenecarbothioyl chloride has a molecular weight of 219.62 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitrobenzenecarbothioyl chloride is sourced from PubChem (CID 135379049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).