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17796-75-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(1,1-dimethylethyl)thio]-
CAS No: 17796-75-7 Catalog No: AG0025NS MDL No:
Product Description
Catalog Number:
AG0025NS
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1,1-dimethylethyl)thio]-
CAS Number:
17796-75-7
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
2-tert-butyl-3-sulfanylideneisoindol-1-one
InChI:
InChI=1S/C12H13NOS/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(13)15/h4-7H,1-3H3
InChI Key:
YEDLHQPLCQKBGW-UHFFFAOYSA-N
SMILES:
CC(SN1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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