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2-(1,3-thiazol-4-yl)acetonitrile

2-(1,3-thiazol-4-yl)acetonitrile

CAS: 7709-59-3

Formula: C5H4N2S

SMILES: N#CCC1=CSC=N1

IUPAC: 2-(1,3-thiazol-4-yl)acetonitrile

InChI: InChI=1S/C5H4N2S/c6-2-1-5-3-8-4-7-5/h3-4H,1H2

Composition: C (48.37%), H (3.25%), N (22.56%), S (25.82%)

Molar Mass: 124.16

Atom Count: 12

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 124.009519311
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LEHFKMSSKUSKIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.18
Topological Polar Surface Area 36.68
Polarizability 11.67
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 7709-59-3 $124.20-$1,147.70$124.20$138.00$161.00$205.85$296.70$1,147.70
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