5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide
TL;DR: 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide (CAS 4600-17-3) is a chemical compound with molecular formula C12H10ClN2PS and molecular weight 280.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2λ5-benzodiazaphosphole
Also Known As: NCIOpen2_005232, 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide, NCI60_041954, 5-chloro-2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2, 1H-1,3,2-Benzodiazaphosphole, 5-chloro-2,3-dihydro-2-phenyl-, 2-sulfide
| Molecular Formula | C12H10ClN2PS |
|---|---|
| Molecular Weight | 280.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.99908 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 4600-17-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)P2(=S)NC3=C(N2)C=C(C=C3)Cl |
| InChIKey | BZBDLTMAECHPOY-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide (CAS 4600-17-3), with molecular formula C12H10ClN2PS and molecular weight 280.00 g/mol. IUPAC: 5-chloro-2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2λ5-benzodiazaphosphole.
Chemical Property Profile of 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide
Property Insights of 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide
The XLogP value of 5.1 indicates that 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide has 2 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 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide?
The CAS number of 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide is 4600-17-3.
What is the molecular formula of 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide?
The molecular formula of 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide is C12H10ClN2PS.
What is the molecular weight of 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide?
The molecular weight of 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide is 280.00 g/mol.
Where can I buy 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide?
You can request a quote for 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.