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1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea
TL;DR: 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea (CAS 31397-22-5) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1-methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea
Also Known As: Hydrazinecarbothioamide,2-[(1-methyl-1H-pyrrol-2-yl)methylene]-N-phenyl-, Semicarbazide, 1-((1-methyl-2-pyrrolyl)methylene)-4-phenyl-3-thio-, Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI)
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.3456 |
| Topological Polar Surface Area | 41.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 545.1287 |
Chemical Identifiers
| CAS Number | 31397-22-5 |
|---|---|
| SMILES | CN1C=CC=C1C=NNC(=S)NC2=CC=CC=C2 |
Product Overview
1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea (CAS 31397-22-5), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 1-[(1-methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea
Property Insights of 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea
The XLogP value of 2.3456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea. With a topological polar surface area (TPSA) of 41.35 Ų, 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea has 2 hydrogen bond donor(s) and 2 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-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea?
The CAS number of 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea is 31397-22-5.
What is the molecular formula of 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea?
The molecular formula of 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea is C13H14N4S.
What is the molecular weight of 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea?
The molecular weight of 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea is 258.09 g/mol.
Where can I buy 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea?
You can request a quote for 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1-Methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.