![(Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure](/static/products/312/312697-54-4.png)
(Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
TL;DR: (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 312697-54-4) is a chemical compound with molecular formula C19H17N3OS3 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dimethyl-3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-(2,5-DIMETHYL-3-{[(5Z)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-1H-PYRROL-1-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE, 2-[2,5-dimethyl-3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C19H17N3OS3 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.39492 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.05338 |
| Heavy Atoms | 26 |
| Complexity | 1019.96497 |
Chemical Identifiers
| CAS Number | 312697-54-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)/C=C\4/C(=O)NC(=S)S4 |
Product Overview
(Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 312697-54-4), with molecular formula C19H17N3OS3 and molecular weight 399.05 g/mol. IUPAC: 2-[2,5-dimethyl-3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Property Insights of (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
The XLogP value of 4.39492 indicates that (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile has 1 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)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The CAS number of (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 312697-54-4.
What is the molecular formula of (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular formula of (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is C19H17N3OS3.
What is the molecular weight of (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular weight of (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 399.05 g/mol.
Where can I buy (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
You can request a quote for (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.