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1204297-83-5 | 2-(6-METHOXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHANETHIOAMIDE
CAS No: 1204297-83-5 Catalog No: AG01AQK1 MDL No:MFCD16653287
Product Description
Catalog Number:
AG01AQK1
Chemical Name:
2-(6-METHOXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHANETHIOAMIDE
CAS Number:
1204297-83-5
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
MDL Number:
MFCD16653287
IUPAC Name:
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanethioamide
InChI:
InChI=1S/C12H16N2OS/c1-15-11-3-2-10-7-14(8-12(13)16)5-4-9(10)6-11/h2-3,6H,4-5,7-8H2,1H3,(H2,13,16)
InChI Key:
RXGPXMQOGZZVRF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN(C2)CC(=S)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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