N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide
TL;DR: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide (CAS 439137-65-2) is a chemical compound with molecular formula C16H13N3OS2 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide
Also Known As: AN-648/40681991, N-(1,3-benzothiazol-2-yl)-N'-(3-methylbenzoyl)thiourea, N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide, 3-(1,3-BENZOTHIAZOL-2-YL)-1-(3-METHYLBENZOYL)THIOUREA
| Molecular Formula | C16H13N3OS2 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 3.73152 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.05002 |
| Heavy Atoms | 22 |
| Complexity | 824.228 |
Chemical Identifiers
| CAS Number | 439137-65-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2 |
Product Overview
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide (CAS 439137-65-2), with molecular formula C16H13N3OS2 and molecular weight 327.05 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide
Property Insights of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide
The XLogP value of 3.73152 indicates that N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide 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 N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide?
The CAS number of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide is 439137-65-2.
What is the molecular formula of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide?
The molecular formula of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide is C16H13N3OS2.
What is the molecular weight of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide?
The molecular weight of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide is 327.05 g/mol.
Where can I buy N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide?
You can request a quote for N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.