(1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate
TL;DR: (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate (CAS 93503-03-8) is a chemical compound with molecular formula C10H16N2O3S2 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate
Also Known As: 1,4-DITHIAN-2-ONE, O-((METHYL(1-OXOBUTYL)AMINO)CARBONYL)OXIME
| Molecular Formula | C10H16N2O3S2 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06024 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 93503-03-8 |
|---|---|
| SMILES | CCCC(=O)N(C)C(=O)ON=C1CSCCS1 |
| InChIKey | YNMPYEYPRKKZCC-UHFFFAOYSA-N |
Product Overview
(1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate (CAS 93503-03-8), with molecular formula C10H16N2O3S2 and molecular weight 276.06 g/mol. IUPAC: (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate.
Chemical Property Profile of (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate
Property Insights of (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate. Following Lipinski's Rule of Five, (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate 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 (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate?
The CAS number of (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate is 93503-03-8.
What is the molecular formula of (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate?
The molecular formula of (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate is C10H16N2O3S2.
What is the molecular weight of (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate?
The molecular weight of (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate is 276.06 g/mol.
Where can I buy (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate?
You can request a quote for (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.