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Home > Indoles and Oxindole > 1007016-46-7
1007016-46-7 | sodium [5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanide
CAS No: 1007016-46-7 Catalog No: AG019HMK MDL No:MFCD03965864
Product Description
Catalog Number:
AG019HMK
Chemical Name:
sodium [5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanide
CAS Number:
1007016-46-7
Molecular Formula:
C16H11N4NaS
Molecular Weight:
314.3401
MDL Number:
MFCD03965864
IUPAC Name:
sodium;5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazole-3-thiolate
InChI:
InChI=1S/C16H12N4S.Na/c21-16-19-18-15(20(16)11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14;/h1-10,17H,(H,19,21);/q;+1/p-1
InChI Key:
VDWHDSIWBPIONQ-UHFFFAOYSA-M
SMILES:
[S-]c1nnc(n1c1ccccc1)c1c[nH]c2c1cccc2.[Na+]
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.342g/mol
Monoisotopic Mass:
314.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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