5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺
TL;DR: 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 (CAS 34419-07-3) is a chemical compound with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺
6-prop-2-enyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Also Known As: 5,6-Dihydro-N-allyl-p-dithiin-2,3-dicarboximide, p-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-ALLYL-, 6-prop-2-enyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione, 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-allyl-, 6-(Prop-2-en-1-yl)-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione
| Molecular Formula | C9H9NO2S2 |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.00748 |
| Heavy Atoms | 14 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 34419-07-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C1=O)SCCS2 |
| InChIKey | MXKYDNZMSFEPBG-UHFFFAOYSA-N |
Product Overview
5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 (CAS 34419-07-3), with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol. IUPAC: 6-prop-2-enyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione.
Chemical Property Profile of 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺
Property Insights of 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺. Following Lipinski's Rule of Five, 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 has 0 hydrogen bond donor(s) and 4 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 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺?
The CAS number of 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 is 34419-07-3.
What is the molecular formula of 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺?
The molecular formula of 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 is C9H9NO2S2.
What is the molecular weight of 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺?
The molecular weight of 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 is 227.01 g/mol.
Where can I buy 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺?
You can request a quote for 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for 5,6-二氢-N-烯丙基对二噻英-2,3-二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.