2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate
TL;DR: 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate (CAS 77267-62-0) is a chemical compound with molecular formula C15H23NO3S2 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-tert-butylsulfanylsulfinyl-N-methylcarbamate
Also Known As: 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate, 3-(1-Methylethyl)phenyl (((1,1-dimethylethyl)thio)sulfinyl)methylcarbamate, Carbamic acid, (((1,1-dimethylethyl)thio)sulfinyl)methyl-, 3-(1-methylethyl)phenyl ester, (3-propan-2-ylphenyl) N-(tert-butylsulfanylsulfinylmethyl)carbamate, (3-propan-2-ylphenyl) N-tert-butylsulfanylsulfinyl-N-methylcarbamate
| Molecular Formula | C15H23NO3S2 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.351 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.11194 |
| Heavy Atoms | 21 |
| Complexity | 523.89514 |
Chemical Identifiers
| CAS Number | 77267-62-0 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)N(C)S(=O)SC(C)(C)C |
Product Overview
2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate (CAS 77267-62-0), with molecular formula C15H23NO3S2 and molecular weight 329.11 g/mol. IUPAC: (3-propan-2-ylphenyl) N-tert-butylsulfanylsulfinyl-N-methylcarbamate.
Chemical Property Profile of 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate
Property Insights of 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate
The XLogP value of 4.351 indicates that 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate has 0 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 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate?
The CAS number of 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate is 77267-62-0.
What is the molecular formula of 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate?
The molecular formula of 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate is C15H23NO3S2.
What is the molecular weight of 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate?
The molecular weight of 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate is 329.11 g/mol.
Where can I buy 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate?
You can request a quote for 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.