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5464-11-9 | 2-(Methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CAS No: 5464-11-9 Catalog No: AG003F3F MDL No:MFCD00005181
Product Description
Catalog Number:
AG003F3F
Chemical Name:
2-(Methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CAS Number:
5464-11-9
Molecular Formula:
C4H9IN2S
Molecular Weight:
244.0971
MDL Number:
MFCD00005181
IUPAC Name:
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
InChI:
InChI=1S/C4H8N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H
InChI Key:
PZZRSEUDGCFXIH-UHFFFAOYSA-N
SMILES:
CSC1=NCCN1.I
EC Number:
226-756-3
NSC Number:
26869
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.953g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.094g/mol
Monoisotopic Mass:
243.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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