cimetidine
1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
| Molecular Formula | C10H16N6S |
|---|---|
| Molecular Weight | 252.34 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 114.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.11572 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 51481-61-9 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC(=NC)NC#N |
| InChIKey | AQIXAKUUQRKLND-UHFFFAOYSA-N |
📖 Product Overview
cimetidine (CAS: 51481-61-9) is a chemical compound with molecular formula C10H16N6S and molecular weight 252.34 g/mol. Its IUPAC systematic name is 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine.
AQIXAKUUQRKLND-UHFFFAOYSA-N.
SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N.
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