Benzenecarbothioamide, 3-bromo-N-phenyl-
TL;DR: Benzenecarbothioamide, 3-bromo-N-phenyl- (CAS 127351-07-9) is a chemical compound with molecular formula C13H10BrNS and molecular weight 290.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-phenylbenzenecarbothioamide
Also Known As: Thiobenzanilide der., Benzenecarbothioamide, 3-bromo-N-phenyl-, N-Phenyl-3-bromothiobenzamide, 3-bromo-N-phenylbenzenecarbothioamide, 3-bromo-N-phenylbenzene-1-carbothioamide
| Molecular Formula | C13H10BrNS |
|---|---|
| Molecular Weight | 290.97 g/mol |
| LogP | 4.2367 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.97174 |
| Heavy Atoms | 16 |
| Complexity | 496.2956 |
Chemical Identifiers
| CAS Number | 127351-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C2=CC(=CC=C2)Br |
Product Overview
Benzenecarbothioamide, 3-bromo-N-phenyl- (CAS 127351-07-9), with molecular formula C13H10BrNS and molecular weight 290.97 g/mol. IUPAC: 3-bromo-N-phenylbenzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, 3-bromo-N-phenyl-
Property Insights of Benzenecarbothioamide, 3-bromo-N-phenyl-
The XLogP value of 4.2367 indicates that Benzenecarbothioamide, 3-bromo-N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Benzenecarbothioamide, 3-bromo-N-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 3-bromo-N-phenyl- 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-N-phenyl-?
The CAS number of Benzenecarbothioamide, 3-bromo-N-phenyl- is 127351-07-9.
What is the molecular formula of Benzenecarbothioamide, 3-bromo-N-phenyl-?
The molecular formula of Benzenecarbothioamide, 3-bromo-N-phenyl- is C13H10BrNS.
What is the molecular weight of Benzenecarbothioamide, 3-bromo-N-phenyl-?
The molecular weight of Benzenecarbothioamide, 3-bromo-N-phenyl- is 290.97 g/mol.
Where can I buy Benzenecarbothioamide, 3-bromo-N-phenyl-?
You can request a quote for Benzenecarbothioamide, 3-bromo-N-phenyl- 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-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 3-bromo-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.