N-(bis sulfanyl-N-methyl-carbamate
TL;DR: N-(bis sulfanyl-N-methyl-carbamate (CAS 82560-26-7) is a chemical compound with molecular formula C16H18N4O3S and molecular weight 346.11 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-[bis(cyanomethyl)amino]sulfanyl-N-methylcarbamate
Also Known As: N-(bis sulfanyl-N-methyl-carbamate, Carbamic acid, ((bis(cyanomethyl)amino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(cyanomethyl)amino]sulfanyl-N-methylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[bis(cyanomethyl)amino]sulfanyl}(methyl)carbamate, 2,3-dihydro-2,2-dimethylbenzofuran-7-yl N-[N,N-bis(cyanomethyl)aminosulfenyl]-N-methyl-carbamate
| Molecular Formula | C16H18N4O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.74306 |
| Topological Polar Surface Area | 89.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.10995 |
| Heavy Atoms | 24 |
| Complexity | 692.2546 |
Chemical Identifiers
| CAS Number | 82560-26-7 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(CC#N)CC#N)C |
Product Overview
N-(bis sulfanyl-N-methyl-carbamate (CAS 82560-26-7), with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(cyanomethyl)amino]sulfanyl-N-methylcarbamate.
Chemical Property Profile of N-(bis sulfanyl-N-methyl-carbamate
Property Insights of N-(bis sulfanyl-N-methyl-carbamate
The XLogP value of 2.74306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(bis sulfanyl-N-methyl-carbamate. The TPSA of 89.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(bis sulfanyl-N-methyl-carbamate. Following Lipinski's Rule of Five, N-(bis sulfanyl-N-methyl-carbamate has 0 hydrogen bond donor(s) and 7 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-(bis sulfanyl-N-methyl-carbamate?
The CAS number of N-(bis sulfanyl-N-methyl-carbamate is 82560-26-7.
What is the molecular formula of N-(bis sulfanyl-N-methyl-carbamate?
The molecular formula of N-(bis sulfanyl-N-methyl-carbamate is C16H18N4O3S.
What is the molecular weight of N-(bis sulfanyl-N-methyl-carbamate?
The molecular weight of N-(bis sulfanyl-N-methyl-carbamate is 346.11 g/mol.
Where can I buy N-(bis sulfanyl-N-methyl-carbamate?
You can request a quote for N-(bis 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-(bis sulfanyl-N-methyl-carbamate?
Yes, KEHONG BIO provides custom synthesis services for N-(bis sulfanyl-N-methyl-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.