![(2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide structure](/static/products/527/527699-32-7.png)
(2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
TL;DR: (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide (CAS 527699-32-7) is a chemical compound with molecular formula C23H21N5OS2 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
Also Known As: (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide, (E)-2-(3-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide, 1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea, 2-((E)-1-{3-[(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)METHYL]-4-METHOXYPHENYL}METHYLIDENE)-N-PHENYL-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C23H21N5OS2 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 5.1843 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.11874 |
| Heavy Atoms | 31 |
| Complexity | 1174.0587 |
Chemical Identifiers
| CAS Number | 527699-32-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3 |
Product Overview
(2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide (CAS 527699-32-7), with molecular formula C23H21N5OS2 and molecular weight 447.12 g/mol. IUPAC: 1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea.
Chemical Property Profile of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
Property Insights of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
The XLogP value of 5.1843 indicates that (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The CAS number of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is 527699-32-7.
What is the molecular formula of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The molecular formula of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is C23H21N5OS2.
What is the molecular weight of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The molecular weight of (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is 447.12 g/mol.
Where can I buy (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
You can request a quote for (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.