N-Nitrosocimetidine
3-cyano-1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine
| Molecular Formula | C10H15N7OS |
|---|---|
| Molecular Weight | 281.34 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 135.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.10587 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 73785-40-7 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O |
| InChIKey | LFTUYYPQNCJQGN-UHFFFAOYSA-N |
📖 Product Overview
N-Nitrosocimetidine (CAS: 73785-40-7) is a chemical compound with molecular formula C10H15N7OS and molecular weight 281.34 g/mol. Its IUPAC systematic name is 3-cyano-1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine.
LFTUYYPQNCJQGN-UHFFFAOYSA-N.
SMILES: CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O.
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