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54855-80-0 | 2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-4-one hydroiodide
CAS No: 54855-80-0 Catalog No: AG01BUQU MDL No:MFCD30345382
Product Description
Catalog Number:
AG01BUQU
Chemical Name:
2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-4-one hydroiodide
CAS Number:
54855-80-0
Molecular Formula:
C4H7IN2OS
Molecular Weight:
258.0806
MDL Number:
MFCD30345382
IUPAC Name:
2-methylsulfanyl-1,4-dihydroimidazol-5-one;hydroiodide
InChI:
InChI=1S/C4H6N2OS.HI/c1-8-4-5-2-3(7)6-4;/h2H2,1H3,(H,5,6,7);1H
InChI Key:
HVTPYQIIUYERPM-UHFFFAOYSA-N
SMILES:
CSC1=NC(=O)CN1.I
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.932g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.077g/mol
Monoisotopic Mass:
257.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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