Basic information
- CAS
338402-53-2- Standard SMILES
CNC(C[N+](=O)[O-])=NN=C(SC)SC- InChIKey
KPVJPMGXEZJBHZ-UHFFFAOYSA-N- Molecular formula
- C6H12N4O2S2
- Average molar mass
- 236.3 g/mol
Names & identifiers
- Preferred name
- 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane
- IUPAC
- N-[bis(methylsulfanyl)methylideneamino]-N'-methyl-2-nitroethanimidamide
- English name
- 1-(2-[Bis(methylsulfanyl)methylene]hydrazino)-1-(methylimino)-2-nitroethane
- Molecular formula
- C6H12N4O2S2
- Molecular weight
- 236.32
Names & synonyms
1-{2-[bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane338402-53-2N-[bis(methylsulfanyl)methylideneamino]-N'-methyl-2-nitroethanimidamideAKOS0050871243B-027(Z)-N-{[bis(methylsulfanyl)methylidene]amino}-N'-methyl-2-nitroethanimidamideEthanimidic acid, N-methyl-2-nitro-, 2-[bis(methylthio)methylene]hydrazide1-(2-[Bis(methylsulfanyl)methylene]hydrazino)-1-(methylimino)-2-nitroethane
Database identifiers
- CAS
338402-53-2
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 361.268 · 361.268±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.349 · 1.349±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.67 · 9.670±0.50(predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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