TL;DR: Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)- (CAS 147701-89-1) is a chemical compound with molecular formula C19H20BrNS and molecular weight 373.05 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-N-(4-cyclohexylphenyl)benzenecarbothioamide
Also Known As: Thiobenzanilide der., Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)-, 3-bromo-N-(4-cyclohexylphenyl)benzenecarbothioamide, 3-Bromo-N-(4-cyclohexylphenyl)benzene-1-carbothioamide
| Molecular Formula | C19H20BrNS |
| Molecular Weight | 373.05 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.05 Da |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)NC(=S)C3=CC(=CC=C3)Br |
| InChIKey | JZQNQFWMBXGSTB-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)- is 147701-89-1.
The molecular formula of Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)- is C19H20BrNS.
The molecular weight of Benzenecarbothioamide, 3-bromo-N-(4-cyclohexylphenyl)- is 373.05 g/mol.
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