![Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) structure](/static/products/5886/588686-32-2.webp)
Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)
TL;DR: Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) (CAS 588686-32-2) is a chemical compound with molecular formula C11H9Cl2N3OS2 and molecular weight 332.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiourea
Also Known As: Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI), 1-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-methyl-thiourea, 1-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiourea, Benzo[b]thiophene-2-carboxylicacid,3,6-dichloro-,2-[ thioxomethyl]hydrazide, (3,6-dichlorobenzo[b]thiophen-2-yl)-N-{[(methylamino)thioxomethyl]amino}carbox amide
| Molecular Formula | C11H9Cl2N3OS2 |
|---|---|
| Molecular Weight | 332.96 g/mol |
| LogP | 2.9468 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.95642 |
| Heavy Atoms | 19 |
| Complexity | 656.67285 |
Chemical Identifiers
| CAS Number | 588686-32-2 |
|---|---|
| SMILES | CNC(=S)NNC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl |
Product Overview
Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) (CAS 588686-32-2), with molecular formula C11H9Cl2N3OS2 and molecular weight 332.96 g/mol. IUPAC: 1-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiourea.
Chemical Property Profile of Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)
Property Insights of Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)
The XLogP value of 2.9468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI). With a topological polar surface area (TPSA) of 53.16 Ų, Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) has 3 hydrogen bond donor(s) and 3 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 Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)?
The CAS number of Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) is 588686-32-2.
What is the molecular formula of Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)?
The molecular formula of Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) is C11H9Cl2N3OS2.
What is the molecular weight of Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)?
The molecular weight of Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) is 332.96 g/mol.
Where can I buy Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)?
You can request a quote for Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(methylamino)thioxomethyl]hydrazide (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.