5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide

C10H12F3N3S — CID 83016392

IUPAC5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide
SMILESCN(C)Nc1ccc(C(F)(F)F)c(C(N)=S)c1
InChIInChI=1S/C10H12F3N3S/c1-16(2)15-6-3-4-8(10(11,12)13)7(5-6)9(14)17/h3-5,15H,1-2H3,(H2,14,17)
InChIKeyRFACAWLTFKCOGR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.23
Rot. Bonds3

About 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide

5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide (PubChem CID 83016392) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide.

Molecular Properties

Compound Name5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide
PubChem CID83016392
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide
SMILESCN(C)Nc1ccc(C(F)(F)F)c(C(N)=S)c1
InChIInChI=1S/C10H12F3N3S/c1-16(2)15-6-3-4-8(10(11,12)13)7(5-6)9(14)17/h3-5,15H,1-2H3,(H2,14,17)
InChIKeyRFACAWLTFKCOGR-UHFFFAOYSA-N
XLogP2.23
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylanilino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320804
2-[4-carbamothioyl-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 61467852
5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 115985875
5-[2-[cyclopropyl(methyl)amino]ethoxy]-2-(trifluoromethyl)benzenecarbothioamide
CID 102740113
5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide
CID 175090793
4-(2-methylbutan-2-ylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320764
4-[(2-methylcyclopropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 62410133
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 65483189
4-(2-methoxyethylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320770
4-(pentylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320786
4-(1-cyclopropylethylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43533580
4-(3-iodoanilino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320820

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide?
The IUPAC name of 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide (CID 83016392) is 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide.
What is the SMILES notation for 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide?
The canonical SMILES for 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide is CN(C)Nc1ccc(C(F)(F)F)c(C(N)=S)c1.
What is the InChIKey of 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide?
The InChIKey is RFACAWLTFKCOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c1-16(2)15-6-3-4-8(10(11,12)13)7(5-6)9(14)17/h3-5,15H,1-2H3,(H2,14,17).
What are the key properties of 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide?
5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide has a molecular weight of 263.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide is sourced from PubChem (CID 83016392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).