3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-
TL;DR: 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- (CAS 63690-22-2) is a chemical compound with molecular formula C12H10S3 and molecular weight 249.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-7-phenyldithiepine-3-thione
Also Known As: 5-Methyl-7-phenyl-3H-1,2-dithiepin-3-thione, 5-methyl-7-phenyldithiepine-3-thione, 3H-1,2-DITHIEPIN-3-THIONE, 5-METHYL-7-PHENYL-, 5-methyl-7-phenyl-3H-1,2-dithiepine-3-thione, 3H-1,2-DITHIEPIN-3-THIONE,5-METHYL-7-PHENYL
| Molecular Formula | C12H10S3 |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.99446 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 63690-22-2 |
|---|---|
| SMILES | CC1=CC(=S)SSC(=C1)C2=CC=CC=C2 |
| InChIKey | YFMMVIZCEJDSLW-UHFFFAOYSA-N |
Product Overview
3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- (CAS 63690-22-2), with molecular formula C12H10S3 and molecular weight 249.99 g/mol. IUPAC: 5-methyl-7-phenyldithiepine-3-thione.
Chemical Property Profile of 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-
Property Insights of 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-
The XLogP value of 3.5 indicates that 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-. Following Lipinski's Rule of Five, 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- has 0 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 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-?
The CAS number of 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- is 63690-22-2.
What is the molecular formula of 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-?
The molecular formula of 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- is C12H10S3.
What is the molecular weight of 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-?
The molecular weight of 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- is 249.99 g/mol.
Where can I buy 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-?
You can request a quote for 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2-Dithiepin-3-thione, 5-methyl-7-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.