3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
TL;DR: 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate (CAS 845662-56-8) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethylphenyl) N-(1,1-dioxothiolan-3-yl)carbamate
Also Known As: 3,4-dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate, (3,4-dimethylphenyl) N-(1,1-dioxothiolan-3-yl)carbamate
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 845662-56-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)NC2CCS(=O)(=O)C2)C |
| InChIKey | WSDRQZPNKRFPCD-UHFFFAOYSA-N |
Product Overview
3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate (CAS 845662-56-8), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: (3,4-dimethylphenyl) N-(1,1-dioxothiolan-3-yl)carbamate.
Chemical Property Profile of 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
Property Insights of 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate. Following Lipinski's Rule of Five, 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate has 1 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 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
The CAS number of 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate is 845662-56-8.
What is the molecular formula of 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
The molecular formula of 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate is C13H17NO4S.
What is the molecular weight of 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
The molecular weight of 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate is 283.09 g/mol.
Where can I buy 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
You can request a quote for 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylphenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.