4-Methyl-1-(trifluoroacetyl)-3-thiosemicarbazide
Basic information
- CAS
25366-21-6- Standard SMILES
CNC(=S)NNC(=O)C(F)(F)F- InChIKey
AXLDYWDVWIIVJD-UHFFFAOYSA-N- Molecular formula
- C4H6F3N3OS
- Average molar mass
- 201.17 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-1-(trifluoroacetyl)-3-thiosemicarbazide
- IUPAC
- 1-methyl-3-[(2,2,2-trifluoroacetyl)amino]thiourea
- English name
- 4-Methyl-1-(trifluoroacetyl)-3-thiosemicarbazide
- Molecular formula
- C4H6F3N3OS
- Molecular weight
- 201.17
Names & synonyms
25366-21-64-methyl-1-(trifluoroacetyl)-3-thiosemicarbazide1-Trifluoroacetyl-4-methylthiosemicarbazideMFCD042409191-methyl-3-[(2,2,2-trifluoroacetyl)amino]thioureaSCHEMBL10757768AXLDYWDVWIIVJD-UHFFFAOYSA-NSBB092736F3167221-methyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]thiourea2,2,2-trifluoro-N-{[(methylamino)thioxomethyl]amino}acetamide4-METHYL-1-(TRIFLUOROACETYL)-3-THIOSEMICARBAZIDE, 97% MIN.
Show more names
Acetic acid, 2,2,2-trifluoro-, 2-[(methylamino)thioxomethyl]hydrazide
Database identifiers
- CAS
25366-21-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Density
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- pka
- 7.84 · 7.84±0.43(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…