![(2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide structure](/static/products/3104/310452-77-8.webp)
(2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide
TL;DR: (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide (CAS 310452-77-8) is a chemical compound with molecular formula C15H15N5S2 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methylideneamino]thiourea
Also Known As: (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide, [(E)-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}amino]thiourea, A1754/0074441, [(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methylideneamino]thiourea, [(E)-[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrrol-2-yl]methyleneamino]thiourea
| Molecular Formula | C15H15N5S2 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.45638 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.07687 |
| Heavy Atoms | 22 |
| Complexity | 778.4434 |
Chemical Identifiers
| CAS Number | 310452-77-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N3C=CC=C3/C=N/NC(=S)N)C#N |
Product Overview
(2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide (CAS 310452-77-8), with molecular formula C15H15N5S2 and molecular weight 329.08 g/mol. IUPAC: [(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrol-2-yl]methylideneamino]thiourea.
Chemical Property Profile of (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide
Property Insights of (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide
The XLogP value of 2.45638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide has 2 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 (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide?
The CAS number of (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide is 310452-77-8.
What is the molecular formula of (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide?
The molecular formula of (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide is C15H15N5S2.
What is the molecular weight of (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide?
The molecular weight of (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide is 329.08 g/mol.
Where can I buy (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide?
You can request a quote for (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.