2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)
TL;DR: 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) (CAS 5902-85-2) is a chemical compound with molecular formula C9H12N2OS2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;3H-1,3-benzothiazole-2-thione
Also Known As: Vancide 20S, Caswell No. 541A, Monoethanolammonium 2-mercaptobenzothiazole, EINECS 227-597-2, EPA Pesticide Chemical Code 051706
| Molecular Formula | C9H12N2OS2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.89629 |
| Topological Polar Surface Area | 62.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.03911 |
| Heavy Atoms | 14 |
| Complexity | 397.30463 |
Chemical Identifiers
| CAS Number | 5902-85-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=S)S2.C(CO)N |
Product Overview
2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) (CAS 5902-85-2), with molecular formula C9H12N2OS2 and molecular weight 228.04 g/mol. IUPAC: 2-aminoethanol;3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)
Property Insights of 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)
The XLogP value of 1.89629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1). The TPSA of 62.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) has 3 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 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)?
The CAS number of 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) is 5902-85-2.
What is the molecular formula of 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)?
The molecular formula of 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) is C9H12N2OS2.
What is the molecular weight of 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)?
The molecular weight of 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) is 228.04 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)?
You can request a quote for 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.