5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-
TL;DR: 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- (CAS 56935-53-6) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-imino-3-phenyl-1,3-thiazole-5-carbonitrile
Also Known As: 4-amino-2-imino-3-phenyl-1,3-thiazole-5-carbonitrile, 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-, 5-Thiazolecarbonitrile,4-amino-2,3-dihydro-2-imino-3-phenyl, 4-Amino-2-imino-3-phenyl-2,3-dihydro-1,3-thiazole-5-carbonitrile, RefChem:305006
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 56935-53-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(SC2=N)C#N)N |
| InChIKey | ATOHPFLGNLKIGG-UHFFFAOYSA-N |
Product Overview
5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- (CAS 56935-53-6), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 4-amino-2-imino-3-phenyl-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-
Property Insights of 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-. Following Lipinski's Rule of Five, 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- has 2 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-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-?
The CAS number of 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- is 56935-53-6.
What is the molecular formula of 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-?
The molecular formula of 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- is C10H8N4S.
What is the molecular weight of 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-?
The molecular weight of 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- is 216.05 g/mol.
Where can I buy 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-?
You can request a quote for 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Thiazolecarbonitrile, 4-amino-2,3-dihydro-2-imino-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.