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851814-15-8

851814-15-8 | 4,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-imidazole-2-thiol

CAS No: 851814-15-8 Catalog No: AG019P3N MDL No:MFCD08729190

Product Description

Catalog Number:
AG019P3N
Chemical Name:
4,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-imidazole-2-thiol
CAS Number:
851814-15-8
Molecular Formula:
C10H16N2OS
Molecular Weight:
212.3118
MDL Number:
MFCD08729190
IUPAC Name:
4,5-dimethyl-3-(oxolan-2-ylmethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C10H16N2OS/c1-7-8(2)12(10(14)11-7)6-9-4-3-5-13-9/h9H,3-6H2,1-2H3,(H,11,14)
InChI Key:
FZABHEWHHBCRSU-UHFFFAOYSA-N
SMILES:
Cc1nc(n(c1C)CC1CCCO1)S

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.098g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.311g/mol
Monoisotopic Mass:
212.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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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