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[(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile
TL;DR: [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile (CAS 19688-92-7) is a chemical compound with molecular formula C6H8N4S and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-amino-1,3-dimethylpyrazol-4-yl) thiocyanate
Also Known As: [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile|(5-amino-1,3-dimethylpyrazol-4-yl) thiocyanate|NCGC00664342-01|Pyrazol-5-amine, 1,3-dimethyl-4-thiocyanato-|1,3-dimethyl-4-thiocyanato-5-amino-pyrazole|5-Amino-1,3-dimethyl-1H-pyrazol-4-yl thiocyanate #|[(5-AMINO-1,3-DIMETHYLPYRAZOL-4-YL)SULFANYL]FORMONITRILE|MYPHWOCJFGURMZ-UHFFFAOYSA-N|EN300-86391|Z1258974902
| Molecular Formula | C6H8N4S |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04697 |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 19688-92-7 |
|---|---|
| SMILES | CC1=NN(C(=C1SC#N)N)C |
| InChIKey | MYPHWOCJFGURMZ-UHFFFAOYSA-N |
Product Overview
[(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile (CAS 19688-92-7), with molecular formula C6H8N4S and molecular weight 168.05 g/mol. IUPAC: (5-amino-1,3-dimethylpyrazol-4-yl) thiocyanate.
Chemical Property Profile of [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile
Property Insights of [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile. Following Lipinski's Rule of Five, [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile has 1 hydrogen bond donor(s) and 4 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 [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile?
The CAS number of [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile is 19688-92-7.
What is the molecular formula of [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile?
The molecular formula of [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile is C6H8N4S.
What is the molecular weight of [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile?
The molecular weight of [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile is 168.05 g/mol.
Where can I buy [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile?
You can request a quote for [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.