1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-
TL;DR: 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- (CAS 54335-72-7) is a chemical compound with molecular formula C4H6N2O3S and molecular weight 162.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-1,3-oxathiolan-4-ylideneamino] carbamate
Also Known As: 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-, [(Z)-1,3-oxathiolan-4-ylideneamino] carbamate
| Molecular Formula | C4H6N2O3S |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | 0.1161 |
| Topological Polar Surface Area | 73.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.00992 |
| Heavy Atoms | 10 |
| Complexity | 161.88564 |
Chemical Identifiers
| CAS Number | 54335-72-7 |
|---|---|
| SMILES | C1/C(=N/OC(=O)N)/SCO1 |
Product Overview
1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- (CAS 54335-72-7), with molecular formula C4H6N2O3S and molecular weight 162.01 g/mol. IUPAC: [(Z)-1,3-oxathiolan-4-ylideneamino] carbamate.
Chemical Property Profile of 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-
Property Insights of 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-
The XLogP value of 0.1161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-. The TPSA of 73.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-. Following Lipinski's Rule of Five, 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- has 1 hydrogen bond donor(s) and 5 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 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-?
The CAS number of 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- is 54335-72-7.
What is the molecular formula of 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-?
The molecular formula of 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- is C4H6N2O3S.
What is the molecular weight of 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-?
The molecular weight of 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- is 162.01 g/mol.
Where can I buy 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-?
You can request a quote for 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-4-one, O-(aminocarbonyl)oxime, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.