methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate
TL;DR: methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate (CAS 40548-04-7) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate
Also Known As: HcND`AePBLdRVbTNEUM[TBB`, IDI1_012663, methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate, METHYL 2-CYANO-2-(3-TETRAHYDROTHIENYLIDENE)ACETATE, methyl 2-cyano-2-(3-tetrahydro thienylidene)acetate
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.11648 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 256.72165 |
Chemical Identifiers
| CAS Number | 40548-04-7 |
|---|---|
| SMILES | COC(=O)/C(=C\1/CCSC1)/C#N |
Product Overview
methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate (CAS 40548-04-7), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate.
Chemical Property Profile of methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate
Property Insights of methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate
The XLogP value of 1.11648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate. With a topological polar surface area (TPSA) of 50.09 Ų, methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate has 0 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 methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate?
The CAS number of methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate is 40548-04-7.
What is the molecular formula of methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate?
The molecular formula of methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate is C8H9NO2S.
What is the molecular weight of methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate?
The molecular weight of methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate is 183.04 g/mol.
Where can I buy methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate?
You can request a quote for methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-2-cyano-2-(thiolan-3-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.