Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate
TL;DR: Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate (CAS 1112-92-1) is a chemical compound with molecular formula C9H18N2O3S and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoylsulfanylmethyl)-2-methylpentyl] carbamate
Also Known As: 1-Pentanol, 2-(mercaptomethyl)-2-methyl-, dicarbamate, 3-Carbamoxy-2-methyl-2-propylpropyl thiolcarbamate, 2-[(carbamoylsulfanyl)methyl]-2-methylpentyl carbamate, 2-Methyl-2-propyl-1,3-propanediol carbamate thiocarbamate, [2-(carbamoylsulfanylmethyl)-2-methylpentyl] carbamate
| Molecular Formula | C9H18N2O3S |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.10382 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 1112-92-1 |
|---|---|
| SMILES | CCCC(C)(COC(=O)N)CSC(=O)N |
| InChIKey | OSLHKMKFZBQLAN-UHFFFAOYSA-N |
Product Overview
Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate (CAS 1112-92-1), with molecular formula C9H18N2O3S and molecular weight 234.10 g/mol. IUPAC: [2-(carbamoylsulfanylmethyl)-2-methylpentyl] carbamate.
Chemical Property Profile of Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate
Property Insights of Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate. Following Lipinski's Rule of Five, Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate has 2 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 Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate?
The CAS number of Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate is 1112-92-1.
What is the molecular formula of Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate?
The molecular formula of Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate is C9H18N2O3S.
What is the molecular weight of Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate?
The molecular weight of Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate is 234.10 g/mol.
Where can I buy Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate?
You can request a quote for Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, thio-, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.