S-methyl-L-thiocitrulline
TL;DR: S-methyl-L-thiocitrulline (CAS 156719-41-4) is a chemical compound with molecular formula C7H15N3O2S and molecular weight 205.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-5-[[amino(methylsulfanyl)methylidene]amino]pentanoic acid
Also Known As: S-Methyl-L-thiocitrulline, S-Methylthiocitrulline, S-Me-TC, S-MTC, Thiocitrulline
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H15N3O2S |
| Molecular Weight | 205.0885 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.0885 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | CSC(=NCCC[C@@H](C(=O)O)N)N |
| InChIKey | NGVMVBQRKZPFLB-YFKPBYRVSA-N |
Chemical Property Profile of S-methyl-L-thiocitrulline
Property Insights of S-methyl-L-thiocitrulline
The XLogP value of -2.7 indicates that S-methyl-L-thiocitrulline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-methyl-L-thiocitrulline. Following Lipinski's Rule of Five, S-methyl-L-thiocitrulline has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-methyl-L-thiocitrulline?
The CAS number of S-methyl-L-thiocitrulline is 156719-41-4.
What is the molecular formula of S-methyl-L-thiocitrulline?
The molecular formula of S-methyl-L-thiocitrulline is C7H15N3O2S.
What is the molecular weight of S-methyl-L-thiocitrulline?
The molecular weight of S-methyl-L-thiocitrulline is 205.0885 g/mol.
Where can I buy S-methyl-L-thiocitrulline?
You can request a quote for S-methyl-L-thiocitrulline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-methyl-L-thiocitrulline?
Yes, CoreyChem provides custom synthesis services for S-methyl-L-thiocitrulline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.