C12H16BrN5S.ClH
TL;DR: C12H16BrN5S.ClH (CAS 126281-58-1) is a chemical compound with molecular formula C12H17BrClN5S and molecular weight 377.00766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]thiourea;hydrochloride
Also Known As: Hydrazinecarboximidamide, N-(aminothioxomethyl)-N-(4-bromophenyl)-2-(1-methylpropylidene)-, monohydrochloride, 1-(4-bromophenyl)-1-[N'-(butan-2-ylideneamino)carbamimidoyl]thiourea Hydrochloride
Technical Specifications
| Molecular Formula | C12H17BrClN5S |
| Molecular Weight | 377.00766 g/mol |
| XLogP | 3.0215 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.00766 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | CC/C(=N/N=C(\N)/N(C1=CC=C(C=C1)Br)C(=S)N)/C.Cl |
| InChIKey | XBFLISFLEXRDJC-OHGISNTKSA-N |
Chemical Property Profile of C12H16BrN5S.ClH
Property Insights of C12H16BrN5S.ClH
The XLogP value of 3.0215 indicates that C12H16BrN5S.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H16BrN5S.ClH. Following Lipinski's Rule of Five, C12H16BrN5S.ClH 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 C12H16BrN5S.ClH?
The CAS number of C12H16BrN5S.ClH is 126281-58-1.
What is the molecular formula of C12H16BrN5S.ClH?
The molecular formula of C12H16BrN5S.ClH is C12H17BrClN5S.
What is the molecular weight of C12H16BrN5S.ClH?
The molecular weight of C12H16BrN5S.ClH is 377.00766 g/mol.
Where can I buy C12H16BrN5S.ClH?
You can request a quote for C12H16BrN5S.ClH directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C12H16BrN5S.ClH?
Yes, CoreyChem provides custom synthesis services for C12H16BrN5S.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.