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Home > Indoles and Oxindole > 401899-98-7
401899-98-7 | (3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone
CAS No: 401899-98-7 Catalog No: AG00JCG5 MDL No:MFCD00781803
Product Description
Catalog Number:
AG00JCG5
Chemical Name:
(3Z)-5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone
CAS Number:
401899-98-7
Molecular Formula:
C11H12N4OS
Molecular Weight:
248.3042
MDL Number:
MFCD00781803
IUPAC Name:
(5-ethyl-2-hydroxy-1H-indol-3-yl)iminothiourea
InChI:
InChI=1S/C11H12N4OS/c1-2-6-3-4-8-7(5-6)9(10(16)13-8)14-15-11(12)17/h3-5,13,16H,2H2,1H3,(H2,12,17)
InChI Key:
YAFOTMWILSGNRI-UHFFFAOYSA-N
SMILES:
CCc1cc2/C(=N/NC(=S)N)/C(=O)Nc2cc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.304g/mol
Monoisotopic Mass:
248.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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