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1H-indole-5-carbothioamide

1H-indole-5-carbothioamide

CAS: 114948-09-3

Formula: C9H8N2S

SMILES: NC(=S)C1=CC=C2NC=CC2=C1

IUPAC: 1H-indole-5-carbothioamide

InChI: InChI=1S/C9H8N2S/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)

Composition: C (61.34%), H (4.58%), N (15.90%), S (18.19%)

Molar Mass: 176.24

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 176.04081944
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 2
InChIKey MOWDVBRNTWWNHD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.21
Topological Polar Surface Area 41.81
Polarizability 21.83
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 114948-09-3 $157.55-$6,762.00$157.55$201.25$286.35$457.70$1,828.50$6,762.00
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