RefChem:1086973
TL;DR: RefChem:1086973 (CAS 126281-61-6) is a chemical compound with molecular formula C13H20ClN5S and molecular weight 313.1128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(3-methylphenyl)thiourea;hydrochloride
Also Known As: N-(Aminothioxomethyl)-N-(3-methylphenyl)-2-(1-methylpropylidene)hydrazinecarboximidamide HCl, Hydrazinecarboximidamide, N-(aminothioxomethyl)-N-(3-methylphenyl)-2-(1-methylpropylidene)-, monohydrochloride
Technical Specifications
| Molecular Formula | C13H20ClN5S |
| Molecular Weight | 313.1128 g/mol |
| XLogP | 2.56742 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1128 Da |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
| SMILES | CC/C(=N/N=C(\N)/N(C1=CC=CC(=C1)C)C(=S)N)/C.Cl |
| InChIKey | GJHWSSXPBWEQDG-QFHYWFJHSA-N |
Chemical Property Profile of RefChem:1086973
Property Insights of RefChem:1086973
The XLogP value of 2.56742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086973. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086973. Following Lipinski's Rule of Five, RefChem:1086973 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1086973?
The CAS number of RefChem:1086973 is 126281-61-6.
What is the molecular formula of RefChem:1086973?
The molecular formula of RefChem:1086973 is C13H20ClN5S.
What is the molecular weight of RefChem:1086973?
The molecular weight of RefChem:1086973 is 313.1128 g/mol.
Where can I buy RefChem:1086973?
You can request a quote for RefChem:1086973 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1086973?
Yes, CoreyChem provides custom synthesis services for RefChem:1086973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.