Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate
TL;DR: Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate (CAS 73199-96-9) is a chemical compound with molecular formula C7H13NO2S and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dimethylamino)-4-sulfanylidenebutanoate
Also Known As: methyl 4-(dimethylamino)-4-sulfanylidenebutanoate, Butanoic acid, 4-(dimethylamino)-4-thioxo-, methyl ester
| Molecular Formula | C7H13NO2S |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.0667 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 73199-96-9 |
|---|---|
| SMILES | CN(C)C(=S)CCC(=O)OC |
| InChIKey | YQLWYNZDYMQQJA-UHFFFAOYSA-N |
Product Overview
Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate (CAS 73199-96-9), with molecular formula C7H13NO2S and molecular weight 175.07 g/mol. IUPAC: methyl 4-(dimethylamino)-4-sulfanylidenebutanoate.
Chemical Property Profile of Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate
Property Insights of Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate. Following Lipinski's Rule of Five, Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate has 0 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 Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate?
The CAS number of Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate is 73199-96-9.
What is the molecular formula of Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate?
The molecular formula of Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate is C7H13NO2S.
What is the molecular weight of Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate?
The molecular weight of Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate is 175.07 g/mol.
Where can I buy Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate?
You can request a quote for Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(dimethylamino)-4-sulfanylidenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.