1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide
TL;DR: 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide (CAS 155820-98-7) is a chemical compound with molecular formula C16H13ClN4O2S2 and molecular weight 392.01685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(4-chlorophenyl)urea
Also Known As: starbld0006672, 1-(2-(BENZOTHIAZOL-2-YLTHIO)ACETYL)-4-(4-CHLOROPHENYL)SEMICARBAZIDE, 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(4-chlorophenyl)urea, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{[(4-chlorophenyl)carbamoyl]amino}acetamide, 2-(2-(Benzo[d]thiazol-2-ylthio)acetyl)-N-(4-chlorophenyl)hydrazine-1-carboxamide
Technical Specifications
| Molecular Formula | C16H13ClN4O2S2 |
| Molecular Weight | 392.01685 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.01685 Da |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | NBIKDAYHYQMPIX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide
Property Insights of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide
The XLogP value of 4.1 indicates that 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide. Following Lipinski's Rule of Five, 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide?
The CAS number of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide is 155820-98-7.
What is the molecular formula of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide?
The molecular formula of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide is C16H13ClN4O2S2.
What is the molecular weight of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide?
The molecular weight of 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide is 392.01685 g/mol.
Where can I buy 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide?
You can request a quote for 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide?
Yes, CoreyChem provides custom synthesis services for 1-(2-(Benzothiazol-2-ylthio)acetyl)-4-(4-chlorophenyl)semicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.