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4-(but-2-enoyl)-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]decane-3,3-dione

4-(but-2-enoyl)-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]decane-3,3-dione

Formula: C14H21NO3S

SMILES: CC=CC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C

IUPAC: 4-(but-2-enoyl)-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]decane-3,3-dione

InChI: InChI=1/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3

Composition: C (59.34%), H (7.47%), N (4.94%), O (16.94%), S (11.31%)

Molar Mass: 283.39

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 283.124214714
Formal Charge 0
FSP3 0.79
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BKPQKSSKLBTRJO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.54
Topological Polar Surface Area 54.45
Polarizability 29.5
Ring Count 3
Rotatable Bond Count 1

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C14H21NO3S Quote Only
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C14H21NO3S Quote Only