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76880-62-1 | 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide
CAS No: 76880-62-1 Catalog No: AG01AQ2D MDL No:MFCD01574758
Product Description
Catalog Number:
AG01AQ2D
Chemical Name:
2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide
CAS Number:
76880-62-1
Molecular Formula:
C15H14IN3S
Molecular Weight:
395.2612
MDL Number:
MFCD01574758
IUPAC Name:
(2-phenyl-1H-indol-3-yl) carbamimidothioate;hydroiodide
InChI:
InChI=1S/C15H13N3S.HI/c16-15(17)19-14-11-8-4-5-9-12(11)18-13(14)10-6-2-1-3-7-10;/h1-9,18H,(H3,16,17);1H
InChI Key:
YMLMGTKRPNZPON-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1c([nH]c2c1cccc2)c1ccccc1.I
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.995g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
395.262g/mol
Monoisotopic Mass:
394.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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