S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate
TL;DR: S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate (CAS 93354-14-4) is a chemical compound with molecular formula C14H9ClN2OS2 and molecular weight 319.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1,3-benzothiazol-2-yl) N-(3-chlorophenyl)carbamothioate
Also Known As: S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate, S-(1,3-benzothiazol-2-yl) N-(3-chlorophenyl)carbamothioate, S-(1,3-Benzothiazol-2-yl) hydrogen (3-chlorophenyl)carbonimidothioate
| Molecular Formula | C14H9ClN2OS2 |
|---|---|
| Molecular Weight | 319.98 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.9845 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 93354-14-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC(=O)NC3=CC(=CC=C3)Cl |
| InChIKey | GPKAXDVEVJURGB-UHFFFAOYSA-N |
Product Overview
S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate (CAS 93354-14-4), with molecular formula C14H9ClN2OS2 and molecular weight 319.98 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl) N-(3-chlorophenyl)carbamothioate.
Chemical Property Profile of S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate
Property Insights of S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate
The XLogP value of 4.9 indicates that S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate. Following Lipinski's Rule of Five, S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate has 1 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 S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate?
The CAS number of S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate is 93354-14-4.
What is the molecular formula of S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate?
The molecular formula of S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate is C14H9ClN2OS2.
What is the molecular weight of S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate?
The molecular weight of S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate is 319.98 g/mol.
Where can I buy S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate?
You can request a quote for S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate?
Yes, KEHONG BIO provides custom synthesis services for S-1,3-Benzothiazol-2-yl hydrogen (3-chlorophenyl)carbonimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.