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Home > Indoles and Oxindole > 4490-75-9
4490-75-9 | 2-(2-Mercaptoethyl);isoindoline-1,3-dione
CAS No: 4490-75-9 Catalog No: AG007188 MDL No:MFCD00023091
Product Description
Catalog Number:
AG007188
Chemical Name:
2-(2-Mercaptoethyl);isoindoline-1,3-dione
CAS Number:
4490-75-9
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD00023091
IUPAC Name:
2-(2-sulfanylethyl)isoindole-1,3-dione
InChI:
InChI=1S/C10H9NO2S/c12-9-7-3-1-2-4-8(7)10(13)11(9)5-6-14/h1-4,14H,5-6H2
InChI Key:
UHOPWFKONJYLCF-UHFFFAOYSA-N
SMILES:
SCCN1C(=O)c2c(C1=O)cccc2
UNII:
B8AV0RD7ML
NSC Number:
62328
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:
1
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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