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20044-28-4 | 1H-Isoindole-1,3(2H)-dione, 2-[(methylthio)methyl]-
CAS No: 20044-28-4 Catalog No: AG002CS9 MDL No:
Product Description
Catalog Number:
AG002CS9
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(methylthio)methyl]-
CAS Number:
20044-28-4
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
2-(methylsulfanylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C10H9NO2S/c1-14-6-11-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3
InChI Key:
WUIKSCRHSGEAQH-UHFFFAOYSA-N
SMILES:
CSCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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