Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-
TL;DR: Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- (CAS 154544-85-1) is a chemical compound with molecular formula C14H11N3S and molecular weight 253.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(1,2-benzothiazol-3-yl)benzenecarboximidamide
Also Known As: N-benzo[d]isothiazol-3-yl-benzamidine, Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-, N'-(1,2-benzothiazol-3-yl)benzenecarboximidamide, N2-(1,2-Benzisothiazol-3-yl)benzamidine, Benzenecarboximidamide,N-1,2-benzisothiazol-3-yl
Technical Specifications
| Molecular Formula | C14H11N3S |
| Molecular Weight | 253.06737 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.06737 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | C1=CC=C(C=C1)C(=NC2=NSC3=CC=CC=C32)N |
| InChIKey | TXSDJKIBJLSCTF-UHFFFAOYSA-N |
Chemical Property Profile of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-
Property Insights of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-
The XLogP value of 3.4 indicates that Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-. Following Lipinski's Rule of Five, Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-?
The CAS number of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- is 154544-85-1.
What is the molecular formula of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-?
The molecular formula of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- is C14H11N3S.
What is the molecular weight of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-?
The molecular weight of Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- is 253.06737 g/mol.
Where can I buy Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-?
You can request a quote for Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-?
Yes, CoreyChem provides custom synthesis services for Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.