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N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide
TL;DR: N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide (CAS 37560-93-3) is a chemical compound with molecular formula C6H12N3O2PS2 and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide
Also Known As: N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide, N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carboth, ETHYL N-(DIETHOXYPHOSPHORYLTHIOCARBAMOYLAMINO)CARBAMATE, Ethyl N-(aziridine-1-carbothioyl)-N'-methanethioylphosphorodiamidate
| Molecular Formula | C6H12N3O2PS2 |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 0.8679 |
| Topological Polar Surface Area | 53.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.01085 |
| Heavy Atoms | 14 |
| Complexity | 282.25018 |
Chemical Identifiers
| CAS Number | 37560-93-3 |
|---|---|
| SMILES | CCOP(=O)(NC=S)NC(=S)N1CC1 |
Product Overview
N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide (CAS 37560-93-3), with molecular formula C6H12N3O2PS2 and molecular weight 253.01 g/mol. IUPAC: N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide.
Chemical Property Profile of N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide
Property Insights of N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide
The XLogP value of 0.8679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide. With a topological polar surface area (TPSA) of 53.37 Ų, N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide has 2 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-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide?
The CAS number of N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide is 37560-93-3.
What is the molecular formula of N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide?
The molecular formula of N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide is C6H12N3O2PS2.
What is the molecular weight of N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide?
The molecular weight of N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide is 253.01 g/mol.
Where can I buy N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide?
You can request a quote for N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.