4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-
TL;DR: 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- (CAS 40520-22-7) is a chemical compound with molecular formula C8H13NS and molecular weight 155.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-thiazine
Also Known As: 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-, 2-ethenyl-4,4-dimethyl-5,6-dihydro-4h-1,3-thiazine, 5,6-Dihydro-4,4-dimethyl-2-vinyl-4H-1,3-thiazine, 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-thiazine, 4H-1,3-Thiazine, 2-ethenyl-5,6-dihydro-4,4-dimethyl-
| Molecular Formula | C8H13NS |
|---|---|
| Molecular Weight | 155.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.07687 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 40520-22-7 |
|---|---|
| SMILES | CC1(CCSC(=N1)C=C)C |
| InChIKey | LMUGJUYSZGFJAH-UHFFFAOYSA-N |
Product Overview
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- (CAS 40520-22-7), with molecular formula C8H13NS and molecular weight 155.08 g/mol. IUPAC: 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-thiazine.
Chemical Property Profile of 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-
Property Insights of 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-. With a topological polar surface area (TPSA) of 37.7 Ų, 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- 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 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-?
The CAS number of 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- is 40520-22-7.
What is the molecular formula of 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-?
The molecular formula of 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- is C8H13NS.
What is the molecular weight of 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-?
The molecular weight of 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- is 155.08 g/mol.
Where can I buy 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-?
You can request a quote for 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-vinyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.