3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
TL;DR: 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile (CAS 175202-52-5) is a chemical compound with molecular formula C10H9NOS2 and molecular weight 223.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile
Also Known As: NIOBIUMTELLURIDE, Maybridge1_004476, 3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile, 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile, Benzo[c]thiophene-1-carbonitrile,4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-
| Molecular Formula | C10H9NOS2 |
|---|---|
| Molecular Weight | 223.01 g/mol |
| LogP | 2.86068 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.01256 |
| Heavy Atoms | 14 |
| Complexity | 428.06577 |
Chemical Identifiers
| CAS Number | 175202-52-5 |
|---|---|
| SMILES | CSC1=C2C(=C(S1)C#N)CCCC2=O |
Product Overview
3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile (CAS 175202-52-5), with molecular formula C10H9NOS2 and molecular weight 223.01 g/mol. IUPAC: 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile.
Chemical Property Profile of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
Property Insights of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
The XLogP value of 2.86068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile has 0 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 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile?
The CAS number of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile is 175202-52-5.
What is the molecular formula of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile?
The molecular formula of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile is C10H9NOS2.
What is the molecular weight of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile?
The molecular weight of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile is 223.01 g/mol.
Where can I buy 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile?
You can request a quote for 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.