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Home > Imidazoles > 332358-13-1
332358-13-1 | 1-ALLYL-5-PHENYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS No: 332358-13-1 Catalog No: AG01AQLY MDL No:MFCD16653444
Product Description
Catalog Number:
AG01AQLY
Chemical Name:
1-ALLYL-5-PHENYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS Number:
332358-13-1
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD16653444
IUPAC Name:
4-phenyl-3-prop-2-enyl-1H-imidazole-2-thione
InChI:
InChI=1S/C12H12N2S/c1-2-8-14-11(9-13-12(14)15)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,13,15)
InChI Key:
HTTGXBLUWOXTPY-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)ncc1c1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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