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2060044-60-0

2060044-60-0 | imino(methyl)(1-methyl-1H-imidazol-2-yl)-lambda6-sulfanone

CAS No: 2060044-60-0 Catalog No: AG01BVCN MDL No:MFCD30345466

Product Description

Catalog Number:
AG01BVCN
Chemical Name:
imino(methyl)(1-methyl-1H-imidazol-2-yl)-lambda6-sulfanone
CAS Number:
2060044-60-0
Molecular Formula:
C5H9N3OS
Molecular Weight:
159.2095
MDL Number:
MFCD30345466
IUPAC Name:
imino-methyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfane
InChI:
InChI=1S/C5H9N3OS/c1-8-4-3-7-5(8)10(2,6)9/h3-4,6H,1-2H3
InChI Key:
RUVHBSQYGHZHHQ-UHFFFAOYSA-N
SMILES:
Cn1ccnc1S(=O)(=N)C

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.047g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.207g/mol
Monoisotopic Mass:
159.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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