1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
TL;DR: 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea (CAS 1146852-76-7) is a chemical compound with molecular formula C6H10N2O4S and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (NZ)-N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamate
Also Known As: Boc-Met(O)-Oh, 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea, EINECS 252-240-2, 1,3-Bis -2-methyl-2-thiopseudoeura, 2-Methylisothiourea-1,3-dicarboxylate
| Molecular Formula | C6H10N2O4S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 0.8278 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03613 |
| Heavy Atoms | 13 |
| Complexity | 228.67415 |
Chemical Identifiers
| CAS Number | 1146852-76-7 |
|---|---|
| SMILES | COC(=O)N/C(=N/C(=O)OC)/SC |
Product Overview
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea (CAS 1146852-76-7), with molecular formula C6H10N2O4S and molecular weight 206.04 g/mol. IUPAC: methyl (NZ)-N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamate.
Chemical Property Profile of 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
Property Insights of 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
The XLogP value of 0.8278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea. Following Lipinski's Rule of Five, 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea has 1 hydrogen bond donor(s) and 5 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 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea?
The CAS number of 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea is 1146852-76-7.
What is the molecular formula of 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea?
The molecular formula of 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea is C6H10N2O4S.
What is the molecular weight of 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea?
The molecular weight of 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea is 206.04 g/mol.
Where can I buy 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea?
You can request a quote for 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.