Butyl carbamimidothioate;2,4,6-trinitrophenol
TL;DR: Butyl carbamimidothioate;2,4,6-trinitrophenol (CAS 2788-59-2) is a chemical compound with molecular formula C11H15N5O7S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl carbamimidothioate;2,4,6-trinitrophenol
Also Known As: butyl carbamimidothioate,2,4,6-trinitrophenol, Butyl carbamimidothioate;2,4,6-trinitrophenol, butyl carbamimidothioate; 2,4,6-trinitrophenol, butylsulfanylmethanimidamide; 2,4,6-trinitrophenol, Butyl carbamimidothioate--2,4,6-trinitrophenol (1/1)
| Molecular Formula | C11H15N5O7S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 2.52997 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0692 |
| Heavy Atoms | 24 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 2788-59-2 |
|---|---|
| SMILES | CCCCSC(=N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HABFOEAHLWIATF-UHFFFAOYSA-N |
Product Overview
Butyl carbamimidothioate;2,4,6-trinitrophenol (CAS 2788-59-2), with molecular formula C11H15N5O7S and molecular weight 361.07 g/mol. IUPAC: butyl carbamimidothioate;2,4,6-trinitrophenol.
Chemical Property Profile of Butyl carbamimidothioate;2,4,6-trinitrophenol
Property Insights of Butyl carbamimidothioate;2,4,6-trinitrophenol
The XLogP value of 2.52997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl carbamimidothioate;2,4,6-trinitrophenol. The TPSA of 233.0 Ų indicates high polarity, suggesting Butyl carbamimidothioate;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyl carbamimidothioate;2,4,6-trinitrophenol has 3 hydrogen bond donor(s) and 9 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 Butyl carbamimidothioate;2,4,6-trinitrophenol?
The CAS number of Butyl carbamimidothioate;2,4,6-trinitrophenol is 2788-59-2.
What is the molecular formula of Butyl carbamimidothioate;2,4,6-trinitrophenol?
The molecular formula of Butyl carbamimidothioate;2,4,6-trinitrophenol is C11H15N5O7S.
What is the molecular weight of Butyl carbamimidothioate;2,4,6-trinitrophenol?
The molecular weight of Butyl carbamimidothioate;2,4,6-trinitrophenol is 361.07 g/mol.
Where can I buy Butyl carbamimidothioate;2,4,6-trinitrophenol?
You can request a quote for Butyl carbamimidothioate;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl carbamimidothioate;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for Butyl carbamimidothioate;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.