as-Triazine-3(2H)-thione, 6-phenyl-
TL;DR: as-Triazine-3(2H)-thione, 6-phenyl- (CAS 27623-09-2) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2H-1,2,4-triazine-3-thione
Also Known As: as-Triazine-3(2H)-thione, 6-phenyl-, 6-Phenyl-as-triazine-3(2H)-thione, 1,2,4-Triazine-3(2H)-thione, 6-phenyl-, 6-phenyl-1,2,4-triazine-3-thiol, 6-phenyl-2H-1,2,4-triazine-3-thione
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.20119 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 429.42194 |
Chemical Identifiers
| CAS Number | 27623-09-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N=C2 |
Product Overview
as-Triazine-3(2H)-thione, 6-phenyl- (CAS 27623-09-2), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: 6-phenyl-2H-1,2,4-triazine-3-thione.
Chemical Property Profile of as-Triazine-3(2H)-thione, 6-phenyl-
Property Insights of as-Triazine-3(2H)-thione, 6-phenyl-
The XLogP value of 2.20119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for as-Triazine-3(2H)-thione, 6-phenyl-. With a topological polar surface area (TPSA) of 41.57 Ų, as-Triazine-3(2H)-thione, 6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, as-Triazine-3(2H)-thione, 6-phenyl- 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 as-Triazine-3(2H)-thione, 6-phenyl-?
The CAS number of as-Triazine-3(2H)-thione, 6-phenyl- is 27623-09-2.
What is the molecular formula of as-Triazine-3(2H)-thione, 6-phenyl-?
The molecular formula of as-Triazine-3(2H)-thione, 6-phenyl- is C9H7N3S.
What is the molecular weight of as-Triazine-3(2H)-thione, 6-phenyl-?
The molecular weight of as-Triazine-3(2H)-thione, 6-phenyl- is 189.04 g/mol.
Where can I buy as-Triazine-3(2H)-thione, 6-phenyl-?
You can request a quote for as-Triazine-3(2H)-thione, 6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for as-Triazine-3(2H)-thione, 6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for as-Triazine-3(2H)-thione, 6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.