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[(3-acetyl-4-aminophenyl)sulfanyl]formonitrile

[(3-acetyl-4-aminophenyl)sulfanyl]formonitrile

Formula: C9H8N2OS

SMILES: CC(=O)C1=C(N)C=CC(SC#N)=C1

IUPAC: [(3-acetyl-4-aminophenyl)sulfanyl]formonitrile

InChI: InChI=1S/C9H8N2OS/c1-6(12)8-4-7(13-5-10)2-3-9(8)11/h2-4H,11H2,1H3

Composition: C (56.23%), H (4.19%), N (14.57%), O (8.32%), S (16.68%)

Molar Mass: 192.24

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.03573406
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DWWHSRQDHPRWIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.03
Topological Polar Surface Area 66.88
Polarizability 19.95
Ring Count 1
Rotatable Bond Count 2

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Chemcia Scientific, LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C9H8N2OS $172.50-$948.75$172.50$569.25$948.75
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