![chloro-(2-cyclopropylethyl)-methyl-[?]thione structure](/static/products/2578/257891-74-0.webp)
chloro-(2-cyclopropylethyl)-methyl-[?]thione
TL;DR: chloro-(2-cyclopropylethyl)-methyl-[?]thione (CAS 257891-74-0) is a chemical compound with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-10-(2-cyclopropylethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Also Known As: chloro-(2-cyclopropylethyl)-methyl-[?]thione, Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-chloro-6-(2-cyclopropylethyl)-4,5,6,7-tetrahydro-5-methyl-, 9-Chloro-6-(2-cyclopropylethyl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol, Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 9-chloro-6-(2-cyclopropylethyl)-4,5,6,7-tetrahydro-5-methyl-, Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione,9-chloro-6-(2-cyclopropylethyl)-4,5,6,7-tetrahydro-5-methyl-
| Molecular Formula | C16H20ClN3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 4.35649 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.10666 |
| Heavy Atoms | 21 |
| Complexity | 743.7954 |
Chemical Identifiers
| CAS Number | 257891-74-0 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CCC4CC4)C=C(C=C3NC2=S)Cl |
Product Overview
chloro-(2-cyclopropylethyl)-methyl-[?]thione (CAS 257891-74-0), with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol. IUPAC: 6-chloro-10-(2-cyclopropylethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione.
Chemical Property Profile of chloro-(2-cyclopropylethyl)-methyl-[?]thione
Property Insights of chloro-(2-cyclopropylethyl)-methyl-[?]thione
The XLogP value of 4.35649 indicates that chloro-(2-cyclopropylethyl)-methyl-[?]thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.96 Ų, chloro-(2-cyclopropylethyl)-methyl-[?]thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, chloro-(2-cyclopropylethyl)-methyl-[?]thione has 1 hydrogen bond donor(s) and 2 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 chloro-(2-cyclopropylethyl)-methyl-[?]thione?
The CAS number of chloro-(2-cyclopropylethyl)-methyl-[?]thione is 257891-74-0.
What is the molecular formula of chloro-(2-cyclopropylethyl)-methyl-[?]thione?
The molecular formula of chloro-(2-cyclopropylethyl)-methyl-[?]thione is C16H20ClN3S.
What is the molecular weight of chloro-(2-cyclopropylethyl)-methyl-[?]thione?
The molecular weight of chloro-(2-cyclopropylethyl)-methyl-[?]thione is 321.11 g/mol.
Where can I buy chloro-(2-cyclopropylethyl)-methyl-[?]thione?
You can request a quote for chloro-(2-cyclopropylethyl)-methyl-[?]thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chloro-(2-cyclopropylethyl)-methyl-[?]thione?
Yes, KEHONG BIO provides custom synthesis services for chloro-(2-cyclopropylethyl)-methyl-[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.