Pentathiuram
TL;DR: Pentathiuram (CAS 55257-72-2) is a chemical compound with molecular formula C12H12Cl5N3O4S2 and molecular weight 500.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate;1,2,3,4,5-pentachloro-6-nitrobenzene
Also Known As: Pentathiuram, Thioperoxydicarbonic diamide (((H2N)C(S))2S2),tetramethyl-, mixt. with pentachloronitrobenzene, 1-(dimethylcarbamoyldisulfanyl)-N,N-dimethyl-formamide; 1,2,3,4,5-pentachloro-6-nitro-benzene, S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate; 1,2,3,4,5-pentachloro-6-nitrobenzene
| Molecular Formula | C12H12Cl5N3O4S2 |
|---|---|
| Molecular Weight | 500.87 g/mol |
| LogP | 6.5928 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.8712 |
| Heavy Atoms | 26 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 55257-72-2 |
|---|---|
| SMILES | CN(C)C(=O)SSC(=O)N(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | HWKQXZZESYJQNI-UHFFFAOYSA-N |
Product Overview
Pentathiuram (CAS 55257-72-2), with molecular formula C12H12Cl5N3O4S2 and molecular weight 500.87 g/mol. IUPAC: S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate;1,2,3,4,5-pentachloro-6-nitrobenzene.
Chemical Property Profile of Pentathiuram
Property Insights of Pentathiuram
The XLogP value of 6.5928 indicates that Pentathiuram is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentathiuram. Following Lipinski's Rule of Five, Pentathiuram has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentathiuram?
The CAS number of Pentathiuram is 55257-72-2.
What is the molecular formula of Pentathiuram?
The molecular formula of Pentathiuram is C12H12Cl5N3O4S2.
What is the molecular weight of Pentathiuram?
The molecular weight of Pentathiuram is 500.87 g/mol.
Where can I buy Pentathiuram?
You can request a quote for Pentathiuram directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentathiuram?
Yes, KEHONG BIO provides custom synthesis services for Pentathiuram and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.