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90265-84-2 | 4(1H)-Isoquinolinone, 2,3-dihydro-7-(methylthio)-
CAS No: 90265-84-2 Catalog No: AG00H626 MDL No:
Product Description
Catalog Number:
AG00H626
Chemical Name:
4(1H)-Isoquinolinone, 2,3-dihydro-7-(methylthio)-
CAS Number:
90265-84-2
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
IUPAC Name:
7-methylsulfanyl-2,3-dihydro-1H-isoquinolin-4-one
InChI:
InChI=1S/C10H11NOS/c1-13-8-2-3-9-7(4-8)5-11-6-10(9)12/h2-4,11H,5-6H2,1H3
InChI Key:
FEAQQJNMBZBAKN-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)CNCC2=O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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