Basic information
- CAS
168127-08-0- Standard SMILES
CN/C(=C/[N+](=O)[O-])SC- InChIKey
YQFHPXZGXNYYLD-ARJAWSKDSA-N- Molecular formula
- C4H8N2O2S
- Average molar mass
- 148.19 g/mol
Names & identifiers
- Preferred name
- N-Methyl-1-(methylthio)-2-nitroethenamine, (Z)-
- IUPAC
- (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine
- English name
- N-Methyl-1-(methylthio)-2-nitroethylen-1-amine
- Molecular formula
- C4H8N2O2S
- Molecular weight
- 148.18
Names & synonyms
168127-08-0N-Methyl-1-(methylthio)-2-nitroethenamine, (Z)-UNII-856LU0GV8H856LU0GV8HEthenamine, N-methyl-1-(methylthio)-2-nitro-, (1Z)-RefChem:202167methyl[1-(methylsulfanyl)-2-nitroethenyl]aminemethyl[(Z)-1-(methylsulfanyl)-2-nitroethenyl]amine(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine1-Methylthio-1-methylamino-2-nitroethyleneNIzatidine EP Impurity B1-Methylamino-1-methylthio-2-nitroethylene
Show more names
N-METHYL-N-[1-(METHYLSULFANYL)-2-NITROVINYL]AMINEN-METHYL-1-(METHYLSULFANYL)-2-NITRO-1-ETHYLENAMINE
(Z)-N-methyl-1-(methylthio)-2-nitroethenamineSCHEMBL85718MLS006011658STR00714EBC-53081MFCD00138255AKOS015900644SMR004703410
Database identifiers
- CAS
168127-08-0- PubChem CID
- 2736798
- UNII
- 856LU0GV8H
- Nikkaji
- J306.918D、J370.371A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 236.5 · 236.5±35.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 0.86 · 0.86±0.70(Predicted)
- FDA UNII
- 856 LU0GV8H · 856LU0GV8H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-Methyl-1-(methylsulfanyl)-2-nitro-1-ethylenamine is used in preparation of Allomorphs of (Z)-Ranitidine Hydrochloride.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Ryan Scientific, Inc.[email protected]
BIONET-INTER[email protected]
MAYBR-INT—
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…