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O,O-Diethyl N-carbamimidoylphosphoramidothioate structure
Fine Chemical

O,O-Diethyl N-carbamimidoylphosphoramidothioate

TL;DR: O,O-Diethyl N-carbamimidoylphosphoramidothioate (CAS 10539-37-4) is a chemical compound with molecular formula C5H14N3O2PS and molecular weight 211.05443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-diethoxyphosphinothioylguanidine

Also Known As: 2-diethoxyphosphinothioylguanidine, N-Amidinophosphoramidothioic acid O,O-diethyl ester, Diethyl N-amidinophosphoramidothionate, o,o-diethyl carbamimidoylphosphoramidothioate, O,O-Diethyl N-carbamimidoylphosphoramidothioate

CAS Number
10539-37-4
Molecular Formula
C5H14N3O2PS
Molecular Weight
211.05443 g/mol
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Technical Specifications

Molecular FormulaC5H14N3O2PS
Molecular Weight211.05443 g/mol
XLogP0.7
Topological Polar Surface Area (TPSA)115.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds5
Exact Mass211.05443 Da
Heavy Atoms12
Complexity195.0
SMILESCCOP(=S)(N=C(N)N)OCC
InChIKeyQOSLJPRIJQEMPD-UHFFFAOYSA-N

Chemical Property Profile of O,O-Diethyl N-carbamimidoylphosphoramidothioate

XLogP
0.7
TPSA (Topological Polar Surface Area)
115.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
12
Complexity
195.0
Exact Mass
211.05443
Monoisotopic Mass
211.05443
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of O,O-Diethyl N-carbamimidoylphosphoramidothioate

The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Diethyl N-carbamimidoylphosphoramidothioate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl N-carbamimidoylphosphoramidothioate. Following Lipinski's Rule of Five, O,O-Diethyl N-carbamimidoylphosphoramidothioate 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

What is the CAS number of O,O-Diethyl N-carbamimidoylphosphoramidothioate?

The CAS number of O,O-Diethyl N-carbamimidoylphosphoramidothioate is 10539-37-4.

What is the molecular formula of O,O-Diethyl N-carbamimidoylphosphoramidothioate?

The molecular formula of O,O-Diethyl N-carbamimidoylphosphoramidothioate is C5H14N3O2PS.

What is the molecular weight of O,O-Diethyl N-carbamimidoylphosphoramidothioate?

The molecular weight of O,O-Diethyl N-carbamimidoylphosphoramidothioate is 211.05443 g/mol.

Where can I buy O,O-Diethyl N-carbamimidoylphosphoramidothioate?

You can request a quote for O,O-Diethyl N-carbamimidoylphosphoramidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for O,O-Diethyl N-carbamimidoylphosphoramidothioate?

Yes, CoreyChem provides custom synthesis services for O,O-Diethyl N-carbamimidoylphosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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