5-Isoquinolinecarbothioamide


Chemical Name: 5-Isoquinolinecarbothioamide
CAS Number: 885272-56-0
Product Number: AG0089ON(AGN-PC-0713E7)
Synonyms:
MDL No:
Molecular Formula: C10H8N2S
Molecular Weight: 188.2489

Identification/Properties


Computed Properties
Molecular Weight:
188.248g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
188.041g/mol
Monoisotopic Mass:
188.041g/mol
Topological Polar Surface Area:
71A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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