N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide
TL;DR: N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide (CAS 61589-32-0) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enyl-2,3-dihydroindole-1-carbothioamide
Also Known As: N-prop-2-enyl-2,3-dihydroindole-1-carbothioamide, AB00036548-01, N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide, 1H-Indole-1-carbothioamide, 2,3-dihydro-N-2-propenyl-, T0512-7316
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.1096 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 386.96344 |
Chemical Identifiers
| CAS Number | 61589-32-0 |
|---|---|
| SMILES | C=CCNC(=S)N1CCC2=CC=CC=C21 |
Product Overview
N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide (CAS 61589-32-0), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: N-prop-2-enyl-2,3-dihydroindole-1-carbothioamide.
Chemical Property Profile of N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide
Property Insights of N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide
The XLogP value of 2.1096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide. With a topological polar surface area (TPSA) of 15.27 Ų, N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-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-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide?
The CAS number of N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide is 61589-32-0.
What is the molecular formula of N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide?
The molecular formula of N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide is C12H14N2S.
What is the molecular weight of N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide?
The molecular weight of N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide is 218.09 g/mol.
Where can I buy N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide?
You can request a quote for N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.