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isoquinoline-1-carbothioamide

isoquinoline-1-carbothioamide

CAS: 435273-39-5

Formula: C10H8N2S

SMILES: NC(=S)C1=NC=CC2=CC=CC=C12

IUPAC: isoquinoline-1-carbothioamide

InChI: InChI=1S/C10H8N2S/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9/h1-6H,(H2,11,13)

Composition: C (63.80%), H (4.28%), N (14.88%), S (17.03%)

Molar Mass: 188.25

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 188.04081944
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HLWSLJSWUSSKDL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.05
Topological Polar Surface Area 38.91
Polarizability 23.25
Ring Count 2
Rotatable Bond Count 1

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96% <2 Days 435273-39-5 $1,147.70-$7,912.00$1,147.70$2,162.00$7,912.00
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