N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide
TL;DR: N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide (CAS 482601-70-7) is a chemical compound with molecular formula C12H15ClN2S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide
Also Known As: N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide, N-(3-chloro-4-methylphenyl)-1-pyrrolidinecarbothioamide, [(3-chloro-4-methylphenyl)amino]pyrrolidinylmethane-1-thione
| Molecular Formula | C12H15ClN2S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 3.44102 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.06445 |
| Heavy Atoms | 16 |
| Complexity | 400.00528 |
Chemical Identifiers
| CAS Number | 482601-70-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)N2CCCC2)Cl |
Product Overview
N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide (CAS 482601-70-7), with molecular formula C12H15ClN2S and molecular weight 254.06 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide.
Chemical Property Profile of N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide
Property Insights of N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide
The XLogP value of 3.44102 indicates that N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-methylphenyl)pyrrolidine-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-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide?
The CAS number of N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide is 482601-70-7.
What is the molecular formula of N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide?
The molecular formula of N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide is C12H15ClN2S.
What is the molecular weight of N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide?
The molecular weight of N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide is 254.06 g/mol.
Where can I buy N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide?
You can request a quote for N-(3-chloro-4-methylphenyl)pyrrolidine-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-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methylphenyl)pyrrolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.