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Home > Indoles and Oxindole > 379725-80-1
379725-80-1 | 5-(1H-Indol-3-yl)-[1,3,4]oxadiazole-2-thiol
CAS No: 379725-80-1 Catalog No: AG00I7GZ MDL No:MFCD03965935
Product Description
Catalog Number:
AG00I7GZ
Chemical Name:
5-(1H-Indol-3-yl)-[1,3,4]oxadiazole-2-thiol
CAS Number:
379725-80-1
Molecular Formula:
C10H7N3OS
Molecular Weight:
217.2471
MDL Number:
MFCD03965935
IUPAC Name:
5-(1H-indol-3-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C10H7N3OS/c15-10-13-12-9(14-10)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,15)
InChI Key:
UVHFDWVKCUDWIL-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1c[nH]c2c1cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.246g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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