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2-(2-methylpropane-2-sulfonyl)acetonitrile

2-(2-methylpropane-2-sulfonyl)acetonitrile

CAS: 81536-18-7

Formula: C6H11NO2S

SMILES: CC(C)(C)S(=O)(=O)CC#N

IUPAC: 2-(2-methylpropane-2-sulfonyl)acetonitrile

InChI: InChI=1S/C6H11NO2S/c1-6(2,3)10(8,9)5-4-7/h5H2,1-3H3

Composition: C (44.70%), H (6.88%), N (8.69%), O (19.85%), S (19.89%)

Molar Mass: 161.22

Atom Count: 21

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 161.051049772
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZRCYCIRRPIYJOU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.9
Topological Polar Surface Area 57.93
Polarizability 15.85
Ring Count 0
Rotatable Bond Count 2

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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 81536-18-7 $499.10$499.10
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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 81536-18-7 $124.74$124.74
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