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N-(1,3-thiazol-2-yl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]benzamide

N-(1,3-thiazol-2-yl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]benzamide

CAS: 478067-81-1

Formula: C14H11F3N2OS2

SMILES: FC(F)=C(F)CCSC1=C(C=CC=C1)C(=O)NC1=NC=CS1

IUPAC: N-(1,3-thiazol-2-yl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]benzamide

InChI: InChI=1S/C14H11F3N2OS2/c15-10(12(16)17)5-7-21-11-4-2-1-3-9(11)13(20)19-14-18-6-8-22-14/h1-4,6,8H,5,7H2,(H,18,19,20)

Composition: C (48.83%), H (3.22%), F (16.55%), N (8.13%), O (4.65%), S (18.62%)

Molar Mass: 344.37

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 344.026489819
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FZWRPAWGDHQBSF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.37
Topological Polar Surface Area 41.99
Polarizability 30.25
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478067-81-1 $51.35-$86.31$51.35$63.37$86.31
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