C8H13N3O2S2
TL;DR: C8H13N3O2S2 (CAS 371954-98-2) is a chemical compound with molecular formula C8H13N3O2S2 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-methyl-2-methylimino-1,3-dithiolan-4-yl)methylideneamino] N-methylcarbamate
Also Known As: (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde O-methylcarbamoyl oxime, 4-methyl-4-[({[(methylamino)carbonyl]oxy}imino)methyl]-2-(methylimino)-1,3-dithiolane
| Molecular Formula | C8H13N3O2S2 |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 1.5527 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04492 |
| Heavy Atoms | 15 |
| Complexity | 306.2619 |
Chemical Identifiers
| CAS Number | 371954-98-2 |
|---|---|
| SMILES | CC1(CSC(=NC)S1)/C=N/OC(=O)NC |
Product Overview
C8H13N3O2S2 (CAS 371954-98-2), with molecular formula C8H13N3O2S2 and molecular weight 247.04 g/mol. IUPAC: [(E)-(4-methyl-2-methylimino-1,3-dithiolan-4-yl)methylideneamino] N-methylcarbamate.
Chemical Property Profile of C8H13N3O2S2
Property Insights of C8H13N3O2S2
The XLogP value of 1.5527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C8H13N3O2S2. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for C8H13N3O2S2. Following Lipinski's Rule of Five, C8H13N3O2S2 has 1 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 C8H13N3O2S2?
The CAS number of C8H13N3O2S2 is 371954-98-2.
What is the molecular formula of C8H13N3O2S2?
The molecular formula of C8H13N3O2S2 is C8H13N3O2S2.
What is the molecular weight of C8H13N3O2S2?
The molecular weight of C8H13N3O2S2 is 247.04 g/mol.
Where can I buy C8H13N3O2S2?
You can request a quote for C8H13N3O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C8H13N3O2S2?
Yes, KEHONG BIO provides custom synthesis services for C8H13N3O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.