![[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea structure](/static/products/3485/348594-85-4.webp)
[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea
TL;DR: [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea (CAS 348594-85-4) is a chemical compound with molecular formula C14H15N5O2S and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea
Also Known As: BIM-0040740.P001, [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea, (2E)-2-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide, (E)-2-((2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl)methylene)hydrazinecarbothioamide
| Molecular Formula | C14H15N5O2S |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.16944 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.09464 |
| Heavy Atoms | 22 |
| Complexity | 766.58887 |
Chemical Identifiers
| CAS Number | 348594-85-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)/C=N/NC(=S)N |
Product Overview
[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea (CAS 348594-85-4), with molecular formula C14H15N5O2S and molecular weight 317.09 g/mol. IUPAC: [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea.
Chemical Property Profile of [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea
Property Insights of [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea
The XLogP value of 2.16944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea. Following Lipinski's Rule of Five, [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea 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 [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea?
The CAS number of [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea is 348594-85-4.
What is the molecular formula of [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea?
The molecular formula of [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea is C14H15N5O2S.
What is the molecular weight of [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea?
The molecular weight of [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea is 317.09 g/mol.
Where can I buy [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea?
You can request a quote for [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.