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1049779-48-7 | 1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide
CAS No: 1049779-48-7 Catalog No: AG01AQYL MDL No:MFCD04440712
Product Description
Catalog Number:
AG01AQYL
Chemical Name:
1-Benzyl-1H-indol-3-yl imidothiocarbamate hydroiodide
CAS Number:
1049779-48-7
Molecular Formula:
C16H16IN3S
Molecular Weight:
409.2878
MDL Number:
MFCD04440712
IUPAC Name:
(1-benzylindol-3-yl) carbamimidothioate;hydroiodide
InChI:
InChI=1S/C16H15N3S.HI/c17-16(18)20-15-11-19(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15;/h1-9,11H,10H2,(H3,17,18);1H
InChI Key:
JHESNSDRXWVBCP-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1cn(c2c1cccc2)Cc1ccccc1.I
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.289g/mol
Monoisotopic Mass:
409.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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