RefChem:1086972
TL;DR: RefChem:1086972 (CAS 126281-60-5) is a chemical compound with molecular formula C12H17Cl2N5S and molecular weight 333.05817 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-chlorophenyl)thiourea;hydrochloride
Also Known As: N-(Aminothioxomethyl)-N-(3-chlorophenyl)-2-(1-methylpropylidene)hydrazinecarboximidamide HCl, Hydrazinecarboximidamide, N-(aminothioxomethyl)-N-(3-chlorophenyl)-2-(1-methylpropylidene)-, monohydrochloride
Technical Specifications
| Molecular Formula | C12H17Cl2N5S |
| Molecular Weight | 333.05817 g/mol |
| XLogP | 2.9124 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.05817 Da |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
| SMILES | CC/C(=N/N=C(\N)/N(C1=CC(=CC=C1)Cl)C(=S)N)/C.Cl |
| InChIKey | TXJFYIGXFJVHDE-OHGISNTKSA-N |
Chemical Property Profile of RefChem:1086972
Property Insights of RefChem:1086972
The XLogP value of 2.9124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086972. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086972. Following Lipinski's Rule of Five, RefChem:1086972 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:1086972?
The CAS number of RefChem:1086972 is 126281-60-5.
What is the molecular formula of RefChem:1086972?
The molecular formula of RefChem:1086972 is C12H17Cl2N5S.
What is the molecular weight of RefChem:1086972?
The molecular weight of RefChem:1086972 is 333.05817 g/mol.
Where can I buy RefChem:1086972?
You can request a quote for RefChem:1086972 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1086972?
Yes, CoreyChem provides custom synthesis services for RefChem:1086972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.