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90265-80-8 | 4-Isoquinolinol, 1,2,3,4-tetrahydro-7-(methylthio)-
CAS No: 90265-80-8 Catalog No: AG00H627 MDL No:
Product Description
Catalog Number:
AG00H627
Chemical Name:
4-Isoquinolinol, 1,2,3,4-tetrahydro-7-(methylthio)-
CAS Number:
90265-80-8
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
IUPAC Name:
7-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-4-ol
InChI:
InChI=1S/C10H13NOS/c1-13-8-2-3-9-7(4-8)5-11-6-10(9)12/h2-4,10-12H,5-6H2,1H3
InChI Key:
FKHHRLRTYCSXNU-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)CNCC2O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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