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885272-56-0 | Isoquinoline-5-carbothioamide
CAS No: 885272-56-0 Catalog No: AG0089ON MDL No:MFCD06738973
Product Description
Catalog Number:
AG0089ON
Chemical Name:
Isoquinoline-5-carbothioamide
CAS Number:
885272-56-0
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
MDL Number:
MFCD06738973
IUPAC Name:
isoquinoline-5-carbothioamide
InChI:
InChI=1S/C10H8N2S/c11-10(13)9-3-1-2-7-6-12-5-4-8(7)9/h1-6H,(H2,11,13)
InChI Key:
DPEOEFCQYUIPSI-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc2c1ccnc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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