Tetrahydrothiopyran-4-one oxime
TL;DR: Tetrahydrothiopyran-4-one oxime (CAS 54013-55-7) is a chemical compound with molecular formula C5H9NOS and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(thian-4-ylidene)hydroxylamine
Also Known As: Tetrahydrothiopyran-4-one oxime, N-(thian-4-ylidene)hydroxylamine, thian-4-one oxime, tetrahydro-4H-thiopyran-4-one oxime, tetrahydro-4-thiopyrone oxime
| Molecular Formula | C5H9NOS |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.04048 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 54013-55-7 |
|---|---|
| SMILES | C1CSCCC1=NO |
| InChIKey | XWSBAVVPGULZOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydrothiopyran-4-one oxime (CAS 54013-55-7), with molecular formula C5H9NOS and molecular weight 131.04 g/mol. IUPAC: N-(thian-4-ylidene)hydroxylamine.
Chemical Property Profile of Tetrahydrothiopyran-4-one oxime
Property Insights of Tetrahydrothiopyran-4-one oxime
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrothiopyran-4-one oxime. With a topological polar surface area (TPSA) of 57.9 Ų, Tetrahydrothiopyran-4-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydrothiopyran-4-one oxime has 1 hydrogen bond donor(s) and 3 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 Tetrahydrothiopyran-4-one oxime?
The CAS number of Tetrahydrothiopyran-4-one oxime is 54013-55-7.
What is the molecular formula of Tetrahydrothiopyran-4-one oxime?
The molecular formula of Tetrahydrothiopyran-4-one oxime is C5H9NOS.
What is the molecular weight of Tetrahydrothiopyran-4-one oxime?
The molecular weight of Tetrahydrothiopyran-4-one oxime is 131.04 g/mol.
Where can I buy Tetrahydrothiopyran-4-one oxime?
You can request a quote for Tetrahydrothiopyran-4-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrothiopyran-4-one oxime?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrothiopyran-4-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.