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132628-97-8 | Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-
CAS No: 132628-97-8 Catalog No: AG0010WM MDL No:
Product Description
Catalog Number:
AG0010WM
Chemical Name:
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(methylthio)-
CAS Number:
132628-97-8
Molecular Formula:
C12H15NS
Molecular Weight:
205.3192
IUPAC Name:
3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline
InChI:
InChI=1S/C12H15NS/c1-12(2)8-9-6-4-5-7-10(9)11(13-12)14-3/h4-7H,8H2,1-3H3
InChI Key:
IAYIROUIYOEEAO-UHFFFAOYSA-N
SMILES:
CSC1=NC(C)(C)Cc2c1cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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