N-丁基硫代磷酰三胺
TL;DR: N-丁基硫代磷酰三胺 (CAS 94317-64-3) is a chemical compound with molecular formula C4H14N3PS and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-丁基硫代磷酰三胺
N-diaminophosphinothioylbutan-1-amine
Also Known As: N-(N-Butyl)thiophosphoric triamide, Agrotain, n-butylphosphorothioic triamide, n-butylthiophosphoric triamide, NBPT
| Molecular Formula | C4H14N3PS |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.0646 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 94317-64-3 |
|---|---|
| SMILES | CCCCNP(=S)(N)N |
| InChIKey | HEPPIYNOUFWEPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-丁基硫代磷酰三胺 (CAS 94317-64-3), with molecular formula C4H14N3PS and molecular weight 167.06 g/mol. IUPAC: N-diaminophosphinothioylbutan-1-amine.
Chemical Property Profile of N-丁基硫代磷酰三胺
Property Insights of N-丁基硫代磷酰三胺
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-丁基硫代磷酰三胺. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-丁基硫代磷酰三胺. Following Lipinski's Rule of Five, N-丁基硫代磷酰三胺 has 3 hydrogen bond donor(s) and 4 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 N-丁基硫代磷酰三胺?
The CAS number of N-丁基硫代磷酰三胺 is 94317-64-3.
What is the molecular formula of N-丁基硫代磷酰三胺?
The molecular formula of N-丁基硫代磷酰三胺 is C4H14N3PS.
What is the molecular weight of N-丁基硫代磷酰三胺?
The molecular weight of N-丁基硫代磷酰三胺 is 167.06 g/mol.
Where can I buy N-丁基硫代磷酰三胺?
You can request a quote for N-丁基硫代磷酰三胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-丁基硫代磷酰三胺?
Yes, KEHONG BIO provides custom synthesis services for N-丁基硫代磷酰三胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.