1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide
TL;DR: 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide (CAS 73713-80-1) is a chemical compound with molecular formula C12H9ClNPS2 and molecular weight 296.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzothiazaphosphole
Also Known As: 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide, 5-Chloro-2,3,2-benzothiazaphosphole-2-sulfide, 5-chloro-2-phenyl-2-sulfanylidene-3H-1,3,2, 1,3,2-Benzothiazaphosphole, 5-chloro-2,3-dihydro-2-phenyl-, 2-sulfide, 5-Chloro-2,3-dihydro-2-phenyl-1H-1,3,2-benzothiazaphosphole-2-sulfide
| Molecular Formula | C12H9ClNPS2 |
|---|---|
| Molecular Weight | 296.96 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.96027 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 73713-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)P2(=S)NC3=C(S2)C=CC(=C3)Cl |
| InChIKey | MEIXQUBZUCFTLE-UHFFFAOYSA-N |
Product Overview
1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide (CAS 73713-80-1), with molecular formula C12H9ClNPS2 and molecular weight 296.96 g/mol. IUPAC: 5-chloro-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzothiazaphosphole.
Chemical Property Profile of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide
Property Insights of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide
The XLogP value of 5.2 indicates that 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide. Following Lipinski's Rule of Five, 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide?
The CAS number of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide is 73713-80-1.
What is the molecular formula of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide?
The molecular formula of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide is C12H9ClNPS2.
What is the molecular weight of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide?
The molecular weight of 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide is 296.96 g/mol.
Where can I buy 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide?
You can request a quote for 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.