(1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol
TL;DR: (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol (CAS 1637428-54-6) is a chemical compound with molecular formula C9H6F3NOS and molecular weight 233.01222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
Also Known As: (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol, (S)-1-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethanol, (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
Technical Specifications
| Molecular Formula | C9H6F3NOS |
| Molecular Weight | 233.01222 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.01222 Da |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)[C@H](C(F)(F)F)O |
| InChIKey | VIIWUYMGSVRMGH-SSDOTTSWSA-N |
Chemical Property Profile of (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol
Property Insights of (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol. Following Lipinski's Rule of Five, (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol has 1 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 (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol?
The CAS number of (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol is 1637428-54-6.
What is the molecular formula of (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol?
The molecular formula of (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol is C9H6F3NOS.
What is the molecular weight of (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol?
The molecular weight of (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol is 233.01222 g/mol.
Where can I buy (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol?
You can request a quote for (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol?
Yes, CoreyChem provides custom synthesis services for (1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.