2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione
TL;DR: 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione (CAS 19148-70-0) is a chemical compound with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxypropyl)-1,2-benzothiazole-3-thione
Also Known As: 2-(3-hydroxypropyl)-1,2-benzothiazole-3-thione, 2-(3-hydroxy-propyl)-benzo[d]isothiazole-3-thione, 2-(3-Hydroxypropyl)-1,2-benzisothiazole-3(2H)-thione, 1,2-Benzisothiazole-3(2H)-thione, 2-(3-hydroxypropyl)-, 2-(3-hydroxypropyl)-2,3-dihydro-1,2-benzothiazole-3-thione
| Molecular Formula | C10H11NOS2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 2.81469 |
| Topological Polar Surface Area | 25.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.02821 |
| Heavy Atoms | 14 |
| Complexity | 486.0728 |
Chemical Identifiers
| CAS Number | 19148-70-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)N(S2)CCCO |
Product Overview
2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione (CAS 19148-70-0), with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol. IUPAC: 2-(3-hydroxypropyl)-1,2-benzothiazole-3-thione.
Chemical Property Profile of 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione
Property Insights of 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione
The XLogP value of 2.81469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione. With a topological polar surface area (TPSA) of 25.16 Ų, 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione has 1 hydrogen bond donor(s) and 3 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-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione?
The CAS number of 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione is 19148-70-0.
What is the molecular formula of 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione?
The molecular formula of 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione is C10H11NOS2.
What is the molecular weight of 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione?
The molecular weight of 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione is 225.03 g/mol.
Where can I buy 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione?
You can request a quote for 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Hydroxypropyl)-1,2-benzothiazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.