![N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide structure](/static/products/4296/429642-42-2.webp)
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide
TL;DR: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide (CAS 429642-42-2) is a chemical compound with molecular formula C18H16ClN3OS2 and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide
Also Known As: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide, N-{[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl}butanamide, N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-N'-butyrylthiourea, N-{[(5-benzothiazol-2-yl-2-chlorophenyl)amino]thioxomethyl}butanamide
| Molecular Formula | C18H16ClN3OS2 |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 5.2298 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.04233 |
| Heavy Atoms | 25 |
| Complexity | 905.9708 |
Chemical Identifiers
| CAS Number | 429642-42-2 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)Cl |
Product Overview
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide (CAS 429642-42-2), with molecular formula C18H16ClN3OS2 and molecular weight 389.04 g/mol. IUPAC: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide.
Chemical Property Profile of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide
Property Insights of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide
The XLogP value of 5.2298 indicates that N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide 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-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide?
The CAS number of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide is 429642-42-2.
What is the molecular formula of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide?
The molecular formula of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide is C18H16ClN3OS2.
What is the molecular weight of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide?
The molecular weight of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide is 389.04 g/mol.
Where can I buy N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide?
You can request a quote for N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.