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1221722-46-8 | 1-benzyl-3,3-dimethylthiourea hydroiodide
CAS No: 1221722-46-8 Catalog No: AG019OYB MDL No:MFCD13368184
Product Description
Catalog Number:
AG019OYB
Chemical Name:
1-benzyl-3,3-dimethylthiourea hydroiodide
CAS Number:
1221722-46-8
Molecular Formula:
C10H15IN2S
Molecular Weight:
322.2090
MDL Number:
MFCD13368184
IUPAC Name:
3-benzyl-1,1-dimethylthiourea;hydroiodide
InChI:
InChI=1S/C10H14N2S.HI/c1-12(2)10(13)11-8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3,(H,11,13);1H
InChI Key:
YDJCBKRMYJFTKQ-UHFFFAOYSA-N
SMILES:
CN(C(=S)NCc1ccccc1)C.I
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.208g/mol
Monoisotopic Mass:
322g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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