(Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide
TL;DR: (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide (CAS 900874-90-0) is a chemical compound with molecular formula C17H20N2O3S3 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-(5,5-dioxo-3-prop-2-enyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)acetamide
Also Known As: (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide, 2-(benzylsulfanyl)-N-[(2Z)-5,5-dioxido-3-(prop-2-en-1-yl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide, 2-benzylsulfanyl-N-(5,5-dioxo-3-prop-2-enyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)acetamide
| Molecular Formula | C17H20N2O3S3 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 2.2028 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0636 |
| Heavy Atoms | 25 |
| Complexity | 777.58765 |
Chemical Identifiers
| CAS Number | 900874-90-0 |
|---|---|
| SMILES | C=CCN1C2CS(=O)(=O)CC2SC1=NC(=O)CSCC3=CC=CC=C3 |
Product Overview
(Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide (CAS 900874-90-0), with molecular formula C17H20N2O3S3 and molecular weight 396.06 g/mol. IUPAC: 2-benzylsulfanyl-N-(5,5-dioxo-3-prop-2-enyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)acetamide.
Chemical Property Profile of (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide
Property Insights of (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide
The XLogP value of 2.2028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide. Following Lipinski's Rule of Five, (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide has 0 hydrogen bond donor(s) and 5 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 (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide?
The CAS number of (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide is 900874-90-0.
What is the molecular formula of (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide?
The molecular formula of (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide is C17H20N2O3S3.
What is the molecular weight of (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide?
The molecular weight of (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide is 396.06 g/mol.
Where can I buy (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide?
You can request a quote for (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(3-allyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-(benzylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.