2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸
TL;DR: 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 (CAS 63798-18-5) is a chemical compound with molecular formula C6H9N3OS and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸
2-amino-3-(1H-imidazol-5-yl)propanethioic S-acid
Also Known As: L-Thiohistidine, USAF B-1, HISTIDINE, THIO-, L-, 2-amino-3-(1H-imidazol-5-yl)propanethioic S-acid, alpha-Amino-4 or 5-imidazolethiopropionic acid
| Molecular Formula | C6H9N3OS |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.04663 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 63798-18-5 |
|---|---|
| SMILES | C1=C(NC=N1)CC(C(=O)S)N |
| InChIKey | VSHRVZCUVVACJI-UHFFFAOYSA-N |
Product Overview
2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 (CAS 63798-18-5), with molecular formula C6H9N3OS and molecular weight 171.05 g/mol. IUPAC: 2-amino-3-(1H-imidazol-5-yl)propanethioic S-acid.
Chemical Property Profile of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸
Property Insights of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸
The XLogP value of -0.4 indicates that 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸. Following Lipinski's Rule of Five, 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 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
Frequently Asked Questions
What is the CAS number of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸?
The CAS number of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 is 63798-18-5.
What is the molecular formula of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸?
The molecular formula of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 is C6H9N3OS.
What is the molecular weight of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸?
The molecular weight of 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 is 171.05 g/mol.
Where can I buy 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸?
You can request a quote for 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-3-(1H-咪唑-5-基)丙硫代S-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.