N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide
TL;DR: N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide (CAS 127722-23-0) is a chemical compound with molecular formula C21H19N3O2S2 and molecular weight 409.09186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-phenylthiourea
Also Known As: 1-[N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-phenylthiourea, N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide, (E)-N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide, 1-(N-(benzenesulfonylmethyl)-C-phenyl-carbonimidoyl)-3-phenyl-thiourea, 3-[(1E)-{[(BENZENESULFONYL)METHYL]IMINO}(PHENYL)METHYL]-1-PHENYLTHIOUREA
Technical Specifications
| Molecular Formula | C21H19N3O2S2 |
| Molecular Weight | 409.09186 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.09186 Da |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
| SMILES | C1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3 |
| InChIKey | AFJFQZDRBQNZGK-UHFFFAOYSA-N |
Chemical Property Profile of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide
Property Insights of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide
The XLogP value of 4.1 indicates that N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide. Following Lipinski's Rule of Five, N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide 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
What is the CAS number of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide?
The CAS number of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide is 127722-23-0.
What is the molecular formula of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide?
The molecular formula of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide is C21H19N3O2S2.
What is the molecular weight of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide?
The molecular weight of N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide is 409.09186 g/mol.
Where can I buy N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide?
You can request a quote for N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide?
Yes, CoreyChem provides custom synthesis services for N-(phenylcarbamothioyl)-N'-((phenylsulfonyl)methyl)benzimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.