3-(2-Benzothiazolylthio)propionitrile
TL;DR: 3-(2-Benzothiazolylthio)propionitrile (CAS 25176-72-1) is a chemical compound with molecular formula C10H8N2S2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)propanenitrile
Also Known As: Maybridge1_007399, 3-benzothiazol-2-ylthiopropanenitrile, Propanenitrile, 3-(2-benzothiazolylthio)-, 3-(Benzo[d]thiazol-2-ylthio)propanenitrile, 3-(2-BENZOTHIAZOLYLTHIO)PROPIONITRILE
| Molecular Formula | C10H8N2S2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 3.30208 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0129 |
| Heavy Atoms | 14 |
| Complexity | 437.17188 |
Chemical Identifiers
| CAS Number | 25176-72-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCC#N |
Product Overview
3-(2-Benzothiazolylthio)propionitrile (CAS 25176-72-1), with molecular formula C10H8N2S2 and molecular weight 220.01 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)propanenitrile.
Chemical Property Profile of 3-(2-Benzothiazolylthio)propionitrile
Property Insights of 3-(2-Benzothiazolylthio)propionitrile
The XLogP value of 3.30208 indicates that 3-(2-Benzothiazolylthio)propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-(2-Benzothiazolylthio)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Benzothiazolylthio)propionitrile 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-(2-Benzothiazolylthio)propionitrile?
The CAS number of 3-(2-Benzothiazolylthio)propionitrile is 25176-72-1.
What is the molecular formula of 3-(2-Benzothiazolylthio)propionitrile?
The molecular formula of 3-(2-Benzothiazolylthio)propionitrile is C10H8N2S2.
What is the molecular weight of 3-(2-Benzothiazolylthio)propionitrile?
The molecular weight of 3-(2-Benzothiazolylthio)propionitrile is 220.01 g/mol.
Where can I buy 3-(2-Benzothiazolylthio)propionitrile?
You can request a quote for 3-(2-Benzothiazolylthio)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzothiazolylthio)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzothiazolylthio)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.