1-(3,4-Dichlorophenyl)-2-methylisothiourea
TL;DR: 1-(3,4-Dichlorophenyl)-2-methylisothiourea (CAS 96157-13-0) is a chemical compound with molecular formula C8H8Cl2N2S and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(3,4-dichlorophenyl)carbamimidothioate
Also Known As: 1-(3,4-dichlorophenyl)-2-methylisothiourea, methyl N'-(3,4-dichlorophenyl)carbamimidothioate
| Molecular Formula | C8H8Cl2N2S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 3.3026 |
| Topological Polar Surface Area | 38.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.97853 |
| Heavy Atoms | 13 |
| Complexity | 338.91595 |
Chemical Identifiers
| CAS Number | 96157-13-0 |
|---|---|
| SMILES | CSC(=NC1=CC(=C(C=C1)Cl)Cl)N |
Product Overview
1-(3,4-Dichlorophenyl)-2-methylisothiourea (CAS 96157-13-0), with molecular formula C8H8Cl2N2S and molecular weight 233.98 g/mol. IUPAC: methyl N'-(3,4-dichlorophenyl)carbamimidothioate.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-2-methylisothiourea
Property Insights of 1-(3,4-Dichlorophenyl)-2-methylisothiourea
The XLogP value of 3.3026 indicates that 1-(3,4-Dichlorophenyl)-2-methylisothiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.38 Ų, 1-(3,4-Dichlorophenyl)-2-methylisothiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-2-methylisothiourea 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 1-(3,4-Dichlorophenyl)-2-methylisothiourea?
The CAS number of 1-(3,4-Dichlorophenyl)-2-methylisothiourea is 96157-13-0.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-2-methylisothiourea?
The molecular formula of 1-(3,4-Dichlorophenyl)-2-methylisothiourea is C8H8Cl2N2S.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-2-methylisothiourea?
The molecular weight of 1-(3,4-Dichlorophenyl)-2-methylisothiourea is 233.98 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-2-methylisothiourea?
You can request a quote for 1-(3,4-Dichlorophenyl)-2-methylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)-2-methylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)-2-methylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.