Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-
TL;DR: Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- (CAS 71605-66-8) is a chemical compound with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzothiadiazol-5-ylmethylamino)ethanethiol
Also Known As: Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-, 2-((2,1,3-Benzothia(S(sup IV))diazol-5-yl)methylamino)ethanethiol, 2-(2,1,3-benzothiadiazol-5-ylmethylamino)ethanethiol, 2-{[(2,1,3-Benzothiadiazol-5-yl)methyl]amino}ethane-1-thiol, Ethanethiol, 2-[(2,1,3-benzothiadiazol-5-ylmethyl)amino]-
| Molecular Formula | C9H11N3S2 |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 1.7107 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.03944 |
| Heavy Atoms | 14 |
| Complexity | 413.1042 |
Chemical Identifiers
| CAS Number | 71605-66-8 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1CNCCS |
Product Overview
Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- (CAS 71605-66-8), with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-5-ylmethylamino)ethanethiol.
Chemical Property Profile of Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-
Property Insights of Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-
The XLogP value of 1.7107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-. With a topological polar surface area (TPSA) of 37.81 Ų, Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- has 2 hydrogen bond donor(s) and 5 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 Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-?
The CAS number of Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- is 71605-66-8.
What is the molecular formula of Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-?
The molecular formula of Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- is C9H11N3S2.
What is the molecular weight of Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-?
The molecular weight of Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- is 225.04 g/mol.
Where can I buy Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-?
You can request a quote for Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.