2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
TL;DR: 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS 330819-87-9) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: 2-(methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, BAS 00289266, 2-(methylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, AB01319880-02, 2-(methylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 2.54028 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 359.73703 |
Chemical Identifiers
| CAS Number | 330819-87-9 |
|---|---|
| SMILES | CNC1=C(C2=C(S1)CCCC2)C#N |
Product Overview
2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS 330819-87-9), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 2-(methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Property Insights of 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
The XLogP value of 2.54028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile has 1 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 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The CAS number of 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 330819-87-9.
What is the molecular formula of 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular formula of 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is C10H12N2S.
What is the molecular weight of 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular weight of 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 192.07 g/mol.
Where can I buy 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
You can request a quote for 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.