N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 216774-62-8) is a chemical compound with molecular formula C16H15ClN2S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, [(2-chlorophenyl)amino]-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione, N2-(2-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
| Molecular Formula | C16H15ClN2S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.06445 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 216774-62-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=CC=C3Cl |
| InChIKey | MEOSRHZTVFTCAK-UHFFFAOYSA-N |
Product Overview
N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 216774-62-8), with molecular formula C16H15ClN2S and molecular weight 302.06 g/mol. IUPAC: N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 3.9 indicates that N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 1 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 N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 216774-62-8.
What is the molecular formula of N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C16H15ClN2S.
What is the molecular weight of N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 302.06 g/mol.
Where can I buy N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.