3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
TL;DR: 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine (CAS 93498-01-2) is a chemical compound with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
Also Known As: 3-(benzothiazol-2-ylthio)-N,N-dimethylpropylamine, 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine, AI-020/34790034, 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethyl-1-propanamine
| Molecular Formula | C12H16N2S2 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.3401 |
| Topological Polar Surface Area | 16.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07549 |
| Heavy Atoms | 16 |
| Complexity | 417.97043 |
Chemical Identifiers
| CAS Number | 93498-01-2 |
|---|---|
| SMILES | CN(C)CCCSC1=NC2=CC=CC=C2S1 |
Product Overview
3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine (CAS 93498-01-2), with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
Property Insights of 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
The XLogP value of 3.3401 indicates that 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.13 Ų, 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine has 0 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 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The CAS number of 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is 93498-01-2.
What is the molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is C12H16N2S2.
What is the molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is 252.08 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
You can request a quote for 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.