3,4-difluorobenzenecarbothiohydrazide

C7H6F2N2S — CID 91618835

IUPAC3,4-difluorobenzenecarbothiohydrazide
SMILESNNC(=S)c1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2N2S/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyQBGXEBLDHFNIIS-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.10
Rot. Bonds1

About 3,4-difluorobenzenecarbothiohydrazide

3,4-difluorobenzenecarbothiohydrazide (PubChem CID 91618835) has the molecular formula C7H6F2N2S and a molecular weight of 188.20 g/mol. Its IUPAC name is 3,4-difluorobenzenecarbothiohydrazide.

Molecular Properties

Compound Name3,4-difluorobenzenecarbothiohydrazide
PubChem CID91618835
Molecular FormulaC7H6F2N2S
Molecular Weight188.20 g/mol
Exact Mass188.02
IUPAC Name3,4-difluorobenzenecarbothiohydrazide
SMILESNNC(=S)c1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2N2S/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyQBGXEBLDHFNIIS-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

O-methyl 3,4-difluorobenzenecarbothioate
CID 19768553
4-fluoro-N,3-dimethylbenzenecarbothioamide
CID 116827662
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
CID 24706077
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
2-(3,4-difluorophenyl)-2-oxoacetic acid
CID 23092017
3,4-difluorobenzenecarboperoxoic acid
CID 171800921
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3,4-difluorobenzamide
CID 61121577
2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one
CID 116590230
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
2-(3,4-difluorophenyl)-2-oxoacetaldehyde
CID 2782290
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629

Frequently Asked Questions

What is the IUPAC name of 3,4-difluorobenzenecarbothiohydrazide?
The IUPAC name of 3,4-difluorobenzenecarbothiohydrazide (CID 91618835) is 3,4-difluorobenzenecarbothiohydrazide.
What is the SMILES notation for 3,4-difluorobenzenecarbothiohydrazide?
The canonical SMILES for 3,4-difluorobenzenecarbothiohydrazide is NNC(=S)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluorobenzenecarbothiohydrazide?
The InChIKey is QBGXEBLDHFNIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2S/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12).
What are the key properties of 3,4-difluorobenzenecarbothiohydrazide?
3,4-difluorobenzenecarbothiohydrazide has a molecular weight of 188.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorobenzenecarbothiohydrazide is sourced from PubChem (CID 91618835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).