S-Methyl-L-thiocitrulline Hydrochloride
TL;DR: S-Methyl-L-thiocitrulline Hydrochloride (CAS 156719-39-0) 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.
2-amino-5-[[amino(methylsulfanyl)methylidene]amino]pentanoic acid
Also Known As: S-Methylthiocitrulline, SPECTRUM1502215, S-Methyl-L-thiocitrulline acetate, S-Methyl-L-thiocitrulline Hydrochloride, 2-amino-5-[[amino(methylsulfanyl)methylidene]amino]pentanoic acid
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(=NCCCC(C(=O)O)N)N |
| InChIKey | NGVMVBQRKZPFLB-UHFFFAOYSA-N |
Chemical Property Profile of S-Methyl-L-thiocitrulline Hydrochloride
Property Insights of S-Methyl-L-thiocitrulline Hydrochloride
The XLogP value of -2.7 indicates that S-Methyl-L-thiocitrulline Hydrochloride 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 Hydrochloride. Following Lipinski's Rule of Five, S-Methyl-L-thiocitrulline Hydrochloride 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 Hydrochloride?
The CAS number of S-Methyl-L-thiocitrulline Hydrochloride is 156719-39-0.
What is the molecular formula of S-Methyl-L-thiocitrulline Hydrochloride?
The molecular formula of S-Methyl-L-thiocitrulline Hydrochloride is C7H15N3O2S.
What is the molecular weight of S-Methyl-L-thiocitrulline Hydrochloride?
The molecular weight of S-Methyl-L-thiocitrulline Hydrochloride is 205.0885 g/mol.
Where can I buy S-Methyl-L-thiocitrulline Hydrochloride?
You can request a quote for S-Methyl-L-thiocitrulline Hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Methyl-L-thiocitrulline Hydrochloride?
Yes, CoreyChem provides custom synthesis services for S-Methyl-L-thiocitrulline Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.