Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate
TL;DR: Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate (CAS 76170-73-5) is a chemical compound with molecular formula C8H14N2O6S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-(methoxycarbonylamino)-1,1-dioxothiolan-3-yl]carbamate
Also Known As: BAS 00120558, dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate, dimethyl (1,1-dioxidotetrahydrothiophene-3,4-diyl)dicarbamate, methyl N-[4-(methoxycarbonylamino)-1,1-dioxothiolan-3-yl]carbamate, methoxy-N-[4-(methoxycarbonylamino)-1,1-dioxothiolan-3-yl]carboxamide
| Molecular Formula | C8H14N2O6S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | -1.136 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05725 |
| Heavy Atoms | 17 |
| Complexity | 374.23846 |
Chemical Identifiers
| CAS Number | 76170-73-5 |
|---|---|
| SMILES | COC(=O)NC1CS(=O)(=O)CC1NC(=O)OC |
Product Overview
Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate (CAS 76170-73-5), with molecular formula C8H14N2O6S and molecular weight 266.06 g/mol. IUPAC: methyl N-[4-(methoxycarbonylamino)-1,1-dioxothiolan-3-yl]carbamate.
Chemical Property Profile of Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate
Property Insights of Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate
The XLogP value of -1.136 indicates that Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate. Following Lipinski's Rule of Five, Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate has 2 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 Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate?
The CAS number of Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate is 76170-73-5.
What is the molecular formula of Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate?
The molecular formula of Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate is C8H14N2O6S.
What is the molecular weight of Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate?
The molecular weight of Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate is 266.06 g/mol.
Where can I buy Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate?
You can request a quote for Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (1,1-dioxidotetrahydrothiene-3,4-diyl)biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.