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61076-89-9 | 1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CAS No: 61076-89-9 Catalog No: AG00EKY5 MDL No:MFCD13195407
Product Description
Catalog Number:
AG00EKY5
Chemical Name:
1-Methyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CAS Number:
61076-89-9
Molecular Formula:
C5H11IN2S
Molecular Weight:
258.1237
MDL Number:
MFCD13195407
IUPAC Name:
1-methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydroiodide
InChI:
InChI=1S/C5H10N2S.HI/c1-7-4-3-6-5(7)8-2;/h3-4H2,1-2H3;1H
InChI Key:
GBQRICLUHNYAPT-UHFFFAOYSA-N
SMILES:
CSC1=NCCN1C.I
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.121g/mol
Monoisotopic Mass:
257.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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