![[[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea structure](/static/products/5341/53413-60-8.webp)
[[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea
TL;DR: [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea (CAS 53413-60-8) is a chemical compound with molecular formula C14H13N5O4S and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea
Also Known As: [(E)-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]me|[[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea
| Molecular Formula | C14H13N5O4S |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 1.3404 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.06882 |
| Heavy Atoms | 24 |
| Complexity | 832.56744 |
Chemical Identifiers
| CAS Number | 53413-60-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3C=NNC(=S)N)[N+](=O)[O-] |
Product Overview
[[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea (CAS 53413-60-8), with molecular formula C14H13N5O4S and molecular weight 347.07 g/mol. IUPAC: [[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea.
Chemical Property Profile of [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea
Property Insights of [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea
The XLogP value of 1.3404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea. Following Lipinski's Rule of Five, [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea has 2 hydrogen bond donor(s) and 6 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 [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea?
The CAS number of [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea is 53413-60-8.
What is the molecular formula of [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea?
The molecular formula of [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea is C14H13N5O4S.
What is the molecular weight of [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea?
The molecular weight of [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea is 347.07 g/mol.
Where can I buy [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea?
You can request a quote for [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-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 [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.