C12H16ClN5S.ClH
TL;DR: C12H16ClN5S.ClH (CAS 126281-55-8) is a chemical compound with molecular formula C12H17Cl2N5S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(4-chlorophenyl)thiourea;hydrochloride
Also Known As: Hydrazinecarboximidamide, N-(aminothioxomethyl)-N-(4-chlorophenyl)-2-(1-methylpropylidene)-, monohydrochloride, 1-[N'-(butan-2-ylideneamino)carbamimidoyl]-1-(4-chlorophenyl)thiourea Hydrochloride, RefChem:1086975
| Molecular Formula | C12H17Cl2N5S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 2.9124 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.05817 |
| Heavy Atoms | 20 |
| Complexity | 513.0839 |
Chemical Identifiers
| CAS Number | 126281-55-8 |
|---|---|
| SMILES | CC/C(=N/N=C(\N)/N(C1=CC=C(C=C1)Cl)C(=S)N)/C.Cl |
Product Overview
C12H16ClN5S.ClH (CAS 126281-55-8), with molecular formula C12H17Cl2N5S and molecular weight 333.06 g/mol. IUPAC: 1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(4-chlorophenyl)thiourea;hydrochloride.
Chemical Property Profile of C12H16ClN5S.ClH
Property Insights of C12H16ClN5S.ClH
The XLogP value of 2.9124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H16ClN5S.ClH. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H16ClN5S.ClH. Following Lipinski's Rule of Five, C12H16ClN5S.ClH 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 C12H16ClN5S.ClH?
The CAS number of C12H16ClN5S.ClH is 126281-55-8.
What is the molecular formula of C12H16ClN5S.ClH?
The molecular formula of C12H16ClN5S.ClH is C12H17Cl2N5S.
What is the molecular weight of C12H16ClN5S.ClH?
The molecular weight of C12H16ClN5S.ClH is 333.06 g/mol.
Where can I buy C12H16ClN5S.ClH?
You can request a quote for C12H16ClN5S.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H16ClN5S.ClH?
Yes, KEHONG BIO provides custom synthesis services for C12H16ClN5S.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.