(2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime
TL;DR: (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime (CAS 30761-17-2) is a chemical compound with molecular formula C9H10N2OS2 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]hydroxylamine
Also Known As: 3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime, AB00082112-01, (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime, (NE)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]hydroxylamine, 2-[(2E)-2-(Hydroxyimino)-1,3-benzothiazol-3(2H)-yl]ethane-1-thiol
| Molecular Formula | C9H10N2OS2 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.9225 |
| Topological Polar Surface Area | 37.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.02345 |
| Heavy Atoms | 14 |
| Complexity | 500.7264 |
Chemical Identifiers
| CAS Number | 30761-17-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(/C(=N\O)/S2)CCS |
Product Overview
(2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime (CAS 30761-17-2), with molecular formula C9H10N2OS2 and molecular weight 226.02 g/mol. IUPAC: (NE)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]hydroxylamine.
Chemical Property Profile of (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime
Property Insights of (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime
The XLogP value of 1.9225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime. With a topological polar surface area (TPSA) of 37.52 Ų, (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime has 2 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 (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime?
The CAS number of (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime is 30761-17-2.
What is the molecular formula of (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime?
The molecular formula of (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime is C9H10N2OS2.
What is the molecular weight of (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime?
The molecular weight of (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime is 226.02 g/mol.
Where can I buy (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime?
You can request a quote for (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.