![3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one structure](/static/products/6132/613228-20-9.webp)
3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
TL;DR: 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one (CAS 613228-20-9) is a chemical compound with molecular formula C19H20N2OS3 and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
Also Known As: 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one, 3,3-DIMETHYL-1-((5((1-NAPHTHYLMETHYL)THIO)1,3,4-THIADIAZOL-2-YL)THIO)-2-BUTANONE, 3,3-dimethyl-1-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)butan-2-one, 3,3-dimethyl-1-({5-[(1-naphthylmethyl)thio]-1,3,4-thiadiazol-2-yl}thio)-2-butanone, 3,3-dimethyl-1-[5-(naphthylmethylthio)(1,3,4-thiadiazol-2-ylthio)]butan-2-one
| Molecular Formula | C19H20N2OS3 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 5.6909 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0738 |
| Heavy Atoms | 25 |
| Complexity | 878.25665 |
Chemical Identifiers
| CAS Number | 613228-20-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(S1)SCC2=CC=CC3=CC=CC=C32 |
Product Overview
3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one (CAS 613228-20-9), with molecular formula C19H20N2OS3 and molecular weight 388.07 g/mol. IUPAC: 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one.
Chemical Property Profile of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
Property Insights of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
The XLogP value of 5.6909 indicates that 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one?
The CAS number of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one is 613228-20-9.
What is the molecular formula of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one?
The molecular formula of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one is C19H20N2OS3.
What is the molecular weight of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one?
The molecular weight of 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one is 388.07 g/mol.
Where can I buy 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one?
You can request a quote for 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.