Sembral
TL;DR: Sembral (CAS 113387-15-8) is a chemical compound with molecular formula C10H12Cl6MnN2S4 and molecular weight 552.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6-hexachlorocyclohexane;manganese(2+);N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
Also Known As: Sembral, DB Green, Maneb-lindane mixt., Maneb - lindane mixt., 1,2,3,4,5,6-hexachlorocyclohexane; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
| Molecular Formula | C10H12Cl6MnN2S4 |
|---|---|
| Molecular Weight | 552.74 g/mol |
| LogP | 3.4711 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 552.7395 |
| Heavy Atoms | 23 |
| Complexity | 308.73102 |
Chemical Identifiers
| CAS Number | 113387-15-8 |
|---|---|
| SMILES | C(CNC(=S)[S-])NC(=S)[S-].C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl.[Mn+2] |
Product Overview
Sembral (CAS 113387-15-8), with molecular formula C10H12Cl6MnN2S4 and molecular weight 552.74 g/mol. IUPAC: 1,2,3,4,5,6-hexachlorocyclohexane;manganese(2+);N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate.
Chemical Property Profile of Sembral
Property Insights of Sembral
The XLogP value of 3.4711 indicates that Sembral is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, Sembral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sembral has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sembral?
The CAS number of Sembral is 113387-15-8.
What is the molecular formula of Sembral?
The molecular formula of Sembral is C10H12Cl6MnN2S4.
What is the molecular weight of Sembral?
The molecular weight of Sembral is 552.74 g/mol.
Where can I buy Sembral?
You can request a quote for Sembral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sembral?
Yes, KEHONG BIO provides custom synthesis services for Sembral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.