N-Methyl-1-(methylsulfanyl)-2-nitro-1-ethylenamine - CAS 168127-08-0
Catalog: |
BB058912 |
Product Name: |
N-Methyl-1-(methylsulfanyl)-2-nitro-1-ethylenamine |
CAS: |
168127-08-0 |
Synonyms: |
(1Z)-N-Methyl-1-(methylthio)-2-nitroethenamine |
IUPAC Name: | (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine |
Description: | N-Methyl-1-(methylsulfanyl)-2-nitro-1-ethylenamine is used in preparation of Allomorphs of (Z)-Ranitidine Hydrochloride. |
Molecular Weight: | 148.18 |
Molecular Formula: | C4H8N2O2S |
Canonical SMILES: | CNC(=C[N+](=O)[O-])SC |
InChI: | InChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3/b4-3- |
InChI Key: | YQFHPXZGXNYYLD-ARJAWSKDSA-N |
References: | Veronesi, Paulo Alberto, et al. PCT Int. Appl., (2001). |
GHS Hazard Statement: | H315 (99.49%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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US-2016018371-A1 | Detection of gas-phase analytes using liquid crystals | 20130313 |
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Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 148.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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