tert-butyl N-[(2S)-1-(carbamothioylhydrazinylidene)-1-(1,3-dithian-2-yl)propan-2-yl]carbamate
Basic information
- CAS
774460-77-4- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)C(=NNC(N)=S)C1SCCCS1- InChIKey
JPBMPSWLJDEUFX-QMMMGPOBSA-N- Molecular formula
- C13H24N4O2S3
- Average molar mass
- 364.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[(2S)-1-(carbamothioylhydrazinylidene)-1-(1,3-dithian-2-yl)propan-2-yl]carbamate
- IUPAC
- tert-butyl N-[(2S)-1-(carbamothioylhydrazinylidene)-1-(1,3-dithian-2-yl)propan-2-yl]carbamate
- English name
- Carbamic acid, [(1S)-2-[(aminothioxomethyl)hydrazono]-2-(1,3-dithian-2-yl)-1-methylethyl]-, 1,1-dimethylethyl ester
- Molecular formula
- C13H24N4O2S3
- Molecular weight
- 364.55
Names & synonyms
Carbamic acid, [(1S)-2-[(aminothioxomethyl)hydrazono]-2-(1,3-dithian-2-yl)-1-methylethyl]-, 1,1-dimethylethyl esterCarbamic acid, [(1S)-2-[(aminothioxomethyl)hydrazono]-2-(1,3-dithian-2-yl)-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
774460-77-4
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Density
- 1.362 · 1.362±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.272 · 10.272±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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