RefChem:1086891
TL;DR: RefChem:1086891 (CAS 174502-93-3) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[(E)-4-pyridin-2-ylbut-3-en-2-ylidene]amino]thiourea
Also Known As: C10H12N4S.1/2H2O, C10-H12-N4-S.1/2H2-O, (E,E)-2-(1-Methyl-3-(2-pyridinyl)-2-propenylidene)hydrazinecarbothioamide, 4-(2-Pyridyl)-3-buten-2-one thiosemicarbazone, Hydrazinecarbothioamide, 2-(1-methyl-3-(2-pyridinyl)-2-propenylidene)-, (E,E)-, hydrate (2:1)
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.3039 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 383.66867 |
Chemical Identifiers
| CAS Number | 174502-93-3 |
|---|---|
| SMILES | C/C(=N\NC(=S)N)/C=C/C1=CC=CC=N1 |
Product Overview
RefChem:1086891 (CAS 174502-93-3), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: [(E)-[(E)-4-pyridin-2-ylbut-3-en-2-ylidene]amino]thiourea.
Chemical Property Profile of RefChem:1086891
Property Insights of RefChem:1086891
The XLogP value of 1.3039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086891. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086891. Following Lipinski's Rule of Five, RefChem:1086891 has 2 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 RefChem:1086891?
The CAS number of RefChem:1086891 is 174502-93-3.
What is the molecular formula of RefChem:1086891?
The molecular formula of RefChem:1086891 is C10H12N4S.
What is the molecular weight of RefChem:1086891?
The molecular weight of RefChem:1086891 is 220.08 g/mol.
Where can I buy RefChem:1086891?
You can request a quote for RefChem:1086891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.