(2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid
TL;DR: (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid (CAS 102818-95-1) is a chemical compound with molecular formula C11H12N2O2S2 and molecular weight 268.03403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid
Also Known As: S-2-Benzothiazolyl-L-homocysteine, L-Homocysteine,S-2-benzothiazolyl-, L-Homocysteine, S-2-benzothiazolyl-, 2-(1,3-benzothiazol-2-yl)-l-homocysteine, 2-(1,3-Benzothiazol-2-yl)homocysteine
Technical Specifications
| Molecular Formula | C11H12N2O2S2 |
| Molecular Weight | 268.03403 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.03403 Da |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)[C@](CCS)(C(=O)O)N |
| InChIKey | GSQLXSCBEBRMII-LLVKDONJSA-N |
Chemical Property Profile of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid
Property Insights of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid
The XLogP value of -0.7 indicates that (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid?
The CAS number of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid is 102818-95-1.
What is the molecular formula of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid?
The molecular formula of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid is C11H12N2O2S2.
What is the molecular weight of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid?
The molecular weight of (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid is 268.03403 g/mol.
Where can I buy (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid?
You can request a quote for (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S)-2-amino-2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.