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Home > Indoles and Oxindole > 172261-05-1
172261-05-1 | 2H-Isoindole-2-ethanethioamide, 1,3-dihydro-1,3-dioxo-
CAS No: 172261-05-1 Catalog No: AG00HZKM MDL No:MFCD09934751
Product Description
Catalog Number:
AG00HZKM
Chemical Name:
2H-Isoindole-2-ethanethioamide, 1,3-dihydro-1,3-dioxo-
CAS Number:
172261-05-1
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD09934751
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)ethanethioamide
InChI:
InChI=1S/C10H8N2O2S/c11-8(15)5-12-9(13)6-3-1-2-4-7(6)10(12)14/h1-4H,5H2,(H2,11,15)
InChI Key:
LYDPYVLIZGQINV-UHFFFAOYSA-N
SMILES:
NC(=S)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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