S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate
TL;DR: S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate (CAS 2651-13-0) is a chemical compound with molecular formula C11H14N2O3S3 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[bis(methylsulfanyl)methylideneamino]sulfonylphenyl]acetamide
Also Known As: S,S'-DIMETHYLN- DITHIOCARBONIMIDATE, 4 -[[Bis(methylthio)methylene]sulfamoyl]acetoanilide, S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate, (N-Acetylsulfanilyl)iminomethanonedimethyl dithioacetal ester, Dimethyl [4-(acetylamino)phenyl]sulfonyldithioimidocarbonate
| Molecular Formula | C11H14N2O3S3 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.01666 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 2651-13-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C(SC)SC |
| InChIKey | NTLMYPZESQPDMR-UHFFFAOYSA-N |
Product Overview
S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate (CAS 2651-13-0), with molecular formula C11H14N2O3S3 and molecular weight 318.02 g/mol. IUPAC: N-[4-[bis(methylsulfanyl)methylideneamino]sulfonylphenyl]acetamide.
Chemical Property Profile of S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate
Property Insights of S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate. Following Lipinski's Rule of Five, S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate 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 S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate?
The CAS number of S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate is 2651-13-0.
What is the molecular formula of S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate?
The molecular formula of S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate is C11H14N2O3S3.
What is the molecular weight of S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate?
The molecular weight of S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate is 318.02 g/mol.
Where can I buy S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate?
You can request a quote for S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for S,S'-Dimethyl N-(N-acetylsulfanilyl)dithiocarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.