Propanenitrile, 3-(2-benzothiazolylamino)-
TL;DR: Propanenitrile, 3-(2-benzothiazolylamino)- (CAS 139933-21-4) is a chemical compound with molecular formula C10H9N3S and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylamino)propanenitrile
Also Known As: Propanenitrile, 3-(2-benzothiazolylamino)-, 3-(1,3-benzothiazol-2-ylamino)propanenitrile, Propanenitrile,3-(2-benzothiazolylamino), 3-[(1,3-Benzothiazol-2-yl)amino]propanenitrile
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 2.62188 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 436.417 |
Chemical Identifiers
| CAS Number | 139933-21-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NCCC#N |
Product Overview
Propanenitrile, 3-(2-benzothiazolylamino)- (CAS 139933-21-4), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylamino)propanenitrile.
Chemical Property Profile of Propanenitrile, 3-(2-benzothiazolylamino)-
Property Insights of Propanenitrile, 3-(2-benzothiazolylamino)-
The XLogP value of 2.62188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-(2-benzothiazolylamino)-. With a topological polar surface area (TPSA) of 48.71 Ų, Propanenitrile, 3-(2-benzothiazolylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-(2-benzothiazolylamino)- has 1 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 Propanenitrile, 3-(2-benzothiazolylamino)-?
The CAS number of Propanenitrile, 3-(2-benzothiazolylamino)- is 139933-21-4.
What is the molecular formula of Propanenitrile, 3-(2-benzothiazolylamino)-?
The molecular formula of Propanenitrile, 3-(2-benzothiazolylamino)- is C10H9N3S.
What is the molecular weight of Propanenitrile, 3-(2-benzothiazolylamino)-?
The molecular weight of Propanenitrile, 3-(2-benzothiazolylamino)- is 203.05 g/mol.
Where can I buy Propanenitrile, 3-(2-benzothiazolylamino)-?
You can request a quote for Propanenitrile, 3-(2-benzothiazolylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-(2-benzothiazolylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(2-benzothiazolylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.