(6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate
TL;DR: (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate (CAS 100333-47-9) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate
Also Known As: [(Z)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino] N-methyl|(6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 100333-47-9 |
|---|---|
| SMILES | CNC(=O)ON=C1CCCC2=C1C=CS2 |
| InChIKey | BHNRJPMTOUSDTC-UHFFFAOYSA-N |
Product Overview
(6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate (CAS 100333-47-9), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate.
Chemical Property Profile of (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate
Property Insights of (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate. Following Lipinski's Rule of Five, (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate has 1 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 (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate?
The CAS number of (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate is 100333-47-9.
What is the molecular formula of (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate?
The molecular formula of (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate is C10H12N2O2S.
What is the molecular weight of (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate?
The molecular weight of (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate is 224.06 g/mol.
Where can I buy (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate?
You can request a quote for (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (6,7-dihydro-5H-1-benzothiophen-4-ylideneamino) N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.