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41306-45-0 | 1,2-Dimethylisothiourea hydriodate
CAS No: 41306-45-0 Catalog No: AG003DEM MDL No:MFCD00192092
Product Description
Catalog Number:
AG003DEM
Chemical Name:
1,2-Dimethylisothiourea hydriodate
CAS Number:
41306-45-0
Molecular Formula:
C3H9IN2S
Molecular Weight:
232.0864
MDL Number:
MFCD00192092
IUPAC Name:
methyl N'-methylcarbamimidothioate;hydroiodide
InChI:
InChI=1S/C3H8N2S.HI/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
InChI Key:
UDUMWDDMSHXGGQ-UHFFFAOYSA-N
SMILES:
CNC(=N)SC.I
EC Number:
609-907-1
Properties
Complexity:
59.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.953g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.083g/mol
Monoisotopic Mass:
231.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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