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149486-68-0 | Thiourea, N-(5-bromo-2-pyridinyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]-
CAS No: 149486-68-0 Catalog No: AG001LR3 MDL No:
Product Description
Catalog Number:
AG001LR3
Chemical Name:
Thiourea, N-(5-bromo-2-pyridinyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]-
CAS Number:
149486-68-0
Molecular Formula:
C14H18BrN3S
Molecular Weight:
340.2818
IUPAC Name:
1-(5-bromopyridin-2-yl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
InChI:
InChI=1S/C14H18BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,18,19)
InChI Key:
DMUWBIHBABUYBI-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cn1)Br)NCCC1=CCCCC1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.283g/mol
Monoisotopic Mass:
339.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Novel broad-spectrum thiourea non-nucleoside inhibitors for the prevention of mucosal HIV transmission. | Current HIV research 20060701 |
| Structural requirements for potent anti-human immunodeficiency virus (HIV) and sperm-immobilizing activities of cyclohexenyl thiourea and urea non-nucleoside inhibitors of HIV-1 reverse transcriptase. | Biology of reproduction 20021201 |
| A 13-week subchronic intravaginal toxicity study of the novel broad-spectrum anti-HIV and spermicidal agent, N-[2-(1-cyclohexenyl)ethyl]-N'-[2-(5-bromopyridyl)]-thiourea (PHI-346) in mice. | Toxicologic pathology 20020101 |
| Novel thiourea compounds as dual-function microbicides. | Biology of reproduction 20000701 |
| N-[2-(1-cyclohexenyl)ethyl]-N'-[2-(5-bromopyridyl)]-thiourea and N'-[2-(1-cyclohexenyl)ethyl]-N'-[2-(5-chloropyridyl)]-thiourea as potent inhibitors of multidrug-resistant human immunodeficiency virus-1. | Bioorganic & medicinal chemistry letters 19990920 |
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