S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate
TL;DR: S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate (CAS 328023-15-0) is a chemical compound with molecular formula C12H13NO3S2 and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate
Also Known As: S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate, S-(4,5-dihydrothiazol-2-yl) 3,4-dimethoxybenzothioate, 3,4-dimethoxyphenyl 1,3-thiazolin-2-ylthio ketone, 3,4-dimethoxythiobenzoic acid S-(2-thiazolin-2-yl) ester, 3,4-dimethoxybenzenecarbothioic acid S-(4,5-dihydrothiazol-2-yl) ester
| Molecular Formula | C12H13NO3S2 |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.0337 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 328023-15-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)SC2=NCCS2)OC |
| InChIKey | ATQUXBUFVBYGII-UHFFFAOYSA-N |
Product Overview
S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate (CAS 328023-15-0), with molecular formula C12H13NO3S2 and molecular weight 283.03 g/mol. IUPAC: S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate.
Chemical Property Profile of S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate
Property Insights of S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate. Following Lipinski's Rule of Five, S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate has 0 hydrogen bond donor(s) and 6 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 S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate?
The CAS number of S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate is 328023-15-0.
What is the molecular formula of S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate?
The molecular formula of S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate is C12H13NO3S2.
What is the molecular weight of S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate?
The molecular weight of S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate is 283.03 g/mol.
Where can I buy S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate?
You can request a quote for S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4,5-dihydro-1,3-thiazol-2-yl) 3,4-dimethoxybenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.