N- sulfanyl-N-methyl-carbamate
TL;DR: N- sulfanyl-N-methyl-carbamate (CAS 82560-71-2) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(methyl)amino]sulfanyl-N-methylcarbamate
Also Known As: N- sulfanyl-N-methyl-carbamate, Carbamic acid, (((2-cyanoethyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(methyl)amino]sulfanyl-N-methylcarbamate, (2,2-dimethyl-3H-benzofuran-7-yl) N-(2-cyanoethyl-methyl-amino)sulfanyl-N-methyl-carbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(2-cyanoethyl)(methyl)amino]sulfanyl}(methyl)carbamate
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.23938 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 627.48676 |
Chemical Identifiers
| CAS Number | 82560-71-2 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(C)CCC#N)C |
Product Overview
N- sulfanyl-N-methyl-carbamate (CAS 82560-71-2), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(methyl)amino]sulfanyl-N-methylcarbamate.
Chemical Property Profile of N- sulfanyl-N-methyl-carbamate
Property Insights of N- sulfanyl-N-methyl-carbamate
The XLogP value of 3.23938 indicates that N- sulfanyl-N-methyl-carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N- sulfanyl-N-methyl-carbamate. Following Lipinski's Rule of Five, N- sulfanyl-N-methyl-carbamate has 0 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 N- sulfanyl-N-methyl-carbamate?
The CAS number of N- sulfanyl-N-methyl-carbamate is 82560-71-2.
What is the molecular formula of N- sulfanyl-N-methyl-carbamate?
The molecular formula of N- sulfanyl-N-methyl-carbamate is C16H21N3O3S.
What is the molecular weight of N- sulfanyl-N-methyl-carbamate?
The molecular weight of N- sulfanyl-N-methyl-carbamate is 335.13 g/mol.
Where can I buy N- sulfanyl-N-methyl-carbamate?
You can request a quote for N- sulfanyl-N-methyl-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N- sulfanyl-N-methyl-carbamate?
Yes, KEHONG BIO provides custom synthesis services for N- sulfanyl-N-methyl-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.