Cimetidine
TL;DR: Cimetidine (CAS 51481-61-9) is a chemical compound with molecular formula C10H16N6S and molecular weight 252.11572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
Also Known As: cimetidine, Tagamet, Ulcedin, Acinil, Eureceptor
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16N6S |
| Molecular Weight | 252.11572 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.11572 Da |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
| Melting Point | 284 to 290 °F (NTP, 1992) |
| Solubility | 5 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC1=C(N=CN1)CSCCNC(=NC)NC#N |
| InChIKey | AQIXAKUUQRKLND-UHFFFAOYSA-N |
Product Description
Applications: Cimetidine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Cimetidine (CAS 51481-61-9) is a pharmaceutical intermediate with the molecular formula C10H16N6S and a molecular weight of 252.12 g/mol. Key physical properties include a solubility: 5 mg/mL at 68 °F (NTP, 1992). Synonyms include cimetidine and Tagamet.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cimetidine
Property Insights of Cimetidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimetidine. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimetidine. Following Lipinski's Rule of Five, Cimetidine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cimetidine?
The CAS number of Cimetidine is 51481-61-9.
What is the molecular formula of Cimetidine?
The molecular formula of Cimetidine is C10H16N6S.
What is the molecular weight of Cimetidine?
The molecular weight of Cimetidine is 252.11572 g/mol.
What are the applications of Cimetidine?
Cimetidine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Cimetidine?
You can request a quote for Cimetidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cimetidine?
Yes, CoreyChem provides custom synthesis services for Cimetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.