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6972-04-9 | N,N’-S-Trimethylisothiouronium Iodide
CAS No: 6972-04-9 Catalog No: AG00FDF5 MDL No:MFCD25973871
Product Description
Catalog Number:
AG00FDF5
Chemical Name:
N,N’-S-Trimethylisothiouronium Iodide
CAS Number:
6972-04-9
Molecular Formula:
C4H11IN2S
Molecular Weight:
246.1130
MDL Number:
MFCD25973871
IUPAC Name:
methyl N,N-dimethylcarbamimidothioate;hydroiodide
InChI:
InChI=1S/C4H10N2S.HI/c1-6(2)4(5)7-3;/h5H,1-3H3;1H
InChI Key:
PFJMWGUDKKPHFR-UHFFFAOYSA-N
SMILES:
CSC(=N)N(C)C.I
NSC Number:
67242
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.11g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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