Benzenecarbothioamide, 3-bromo-
TL;DR: Benzenecarbothioamide, 3-bromo- (CAS 2227-62-5) is a chemical compound with molecular formula C7H6BrNS and molecular weight 214.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromobenzenecarbothioamide
Also Known As: 3-Bromothiobenzamide, 3-Bromobenzenecarbothioamide, 3-BROMOBENZOTHIOAMIDE, 3-bromo-thiobenzamide, 3-Brom-thiobenzamid
| Molecular Formula | C7H6BrNS |
|---|---|
| Molecular Weight | 214.94 g/mol |
| LogP | 2.0833 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.94043 |
| Heavy Atoms | 10 |
| Complexity | 259.53796 |
Chemical Identifiers
| CAS Number | 2227-62-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=S)N |
Product Overview
Benzenecarbothioamide, 3-bromo- (CAS 2227-62-5), with molecular formula C7H6BrNS and molecular weight 214.94 g/mol. IUPAC: 3-bromobenzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, 3-bromo-
Property Insights of Benzenecarbothioamide, 3-bromo-
The XLogP value of 2.0833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, 3-bromo-. With a topological polar surface area (TPSA) of 26.02 Ų, Benzenecarbothioamide, 3-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 3-bromo- 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 Benzenecarbothioamide, 3-bromo-?
The CAS number of Benzenecarbothioamide, 3-bromo- is 2227-62-5.
What is the molecular formula of Benzenecarbothioamide, 3-bromo-?
The molecular formula of Benzenecarbothioamide, 3-bromo- is C7H6BrNS.
What is the molecular weight of Benzenecarbothioamide, 3-bromo-?
The molecular weight of Benzenecarbothioamide, 3-bromo- is 214.94 g/mol.
Where can I buy Benzenecarbothioamide, 3-bromo-?
You can request a quote for Benzenecarbothioamide, 3-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, 3-bromo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 3-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.