1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide
TL;DR: 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide (CAS 73713-81-2) is a chemical compound with molecular formula C13H12NPS2 and molecular weight 277.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzothiazaphosphole
Also Known As: 6-Methyl-2,3-dihydro-2-phenyl-1H-1,3,2-benzothiazaphosphole-2-sulfide, 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide, 1,3,2-Benzothiazaphosphole, 2,3-dihydro-6-methyl-2-phenyl-, 2-sulfide, 6-Methyl-2,3,2-benzothiazaphosphole-2-sulfide, 6-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2
| Molecular Formula | C13H12NPS2 |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.0149 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 73713-81-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NP(=S)(S2)C3=CC=CC=C3 |
| InChIKey | SGNNWCGXIXCYNI-UHFFFAOYSA-N |
Product Overview
1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide (CAS 73713-81-2), with molecular formula C13H12NPS2 and molecular weight 277.01 g/mol. IUPAC: 6-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzothiazaphosphole.
Chemical Property Profile of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide
Property Insights of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide
The XLogP value of 5.0 indicates that 1,3,2-Benzothiazaphospholine, 6-methyl-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, 6-methyl-2-phenyl-, 2-sulfide. Following Lipinski's Rule of Five, 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide 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
Frequently Asked Questions
What is the CAS number of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide?
The CAS number of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide is 73713-81-2.
What is the molecular formula of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide?
The molecular formula of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide is C13H12NPS2.
What is the molecular weight of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide?
The molecular weight of 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide is 277.01 g/mol.
Where can I buy 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide?
You can request a quote for 1,3,2-Benzothiazaphospholine, 6-methyl-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, 6-methyl-2-phenyl-, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.