3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one
TL;DR: 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one (CAS 13449-08-6) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-1,3-benzothiazol-2-one
Also Known As: 3-allyl-2,3-dihydro-1,3-benzothiazol-2-one, 3-prop-2-enyl-1,3-benzothiazol-2-one, 3-ALLYL-3H-BENZOTHIAZOL-2-ONE, 2(3H)-Benzothiazolone, 3-(2-propenyl)-, 3-allyl-1,3-benzothiazol-2(3h)-one
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 2.249 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 494.8392 |
Chemical Identifiers
| CAS Number | 13449-08-6 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2SC1=O |
Product Overview
3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one (CAS 13449-08-6), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 3-prop-2-enyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one
Property Insights of 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one
The XLogP value of 2.249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one. With a topological polar surface area (TPSA) of 22.0 Ų, 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one has 0 hydrogen bond donor(s) and 2 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 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one?
The CAS number of 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one is 13449-08-6.
What is the molecular formula of 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular formula of 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one is C10H9NOS.
What is the molecular weight of 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular weight of 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one is 191.04 g/mol.
Where can I buy 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one?
You can request a quote for 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.