1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-
TL;DR: 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- (CAS 38567-25-8) is a chemical compound with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-3,4-dihydropyrazole-2-carbodithioic acid
Also Known As: 3-phenyl-3,4-dihydropyrazole-2-carbodithioic acid, 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-, 1H-Pyrazole-1-carbodithioic acid,4,5-dihydro-5-phenyl, 5-Phenyl-4,5-dihydro-1H-pyrazole-1-carbodithioic acid
| Molecular Formula | C10H10N2S2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.6339 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.02853 |
| Heavy Atoms | 14 |
| Complexity | 361.64456 |
Chemical Identifiers
| CAS Number | 38567-25-8 |
|---|---|
| SMILES | C1C=NN(C1C2=CC=CC=C2)C(=S)S |
Product Overview
1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- (CAS 38567-25-8), with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol. IUPAC: 3-phenyl-3,4-dihydropyrazole-2-carbodithioic acid.
Chemical Property Profile of 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-
Property Insights of 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-
The XLogP value of 2.6339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-. With a topological polar surface area (TPSA) of 15.6 Ų, 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- has 1 hydrogen bond donor(s) and 2 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 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-?
The CAS number of 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- is 38567-25-8.
What is the molecular formula of 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-?
The molecular formula of 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- is C10H10N2S2.
What is the molecular weight of 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-?
The molecular weight of 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- is 222.03 g/mol.
Where can I buy 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-?
You can request a quote for 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-1-carbodithioic acid, 4,5-dihydro-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.