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2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyrimidine

2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyrimidine

CAS: 4871-71-0

Formula: C8H7F3N2S

SMILES: FC(F)=C(F)CCSC1=NC=CC=N1

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

InChI: InChI=1S/C8H7F3N2S/c9-6(7(10)11)2-5-14-8-12-3-1-4-13-8/h1,3-4H,2,5H2

Composition: C (43.63%), H (3.20%), F (25.88%), N (12.72%), S (14.56%)

Molar Mass: 220.21

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.028203896
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PLLUJQVWXXGSGA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.76
Topological Polar Surface Area 25.78
Polarizability 18.12
Ring Count 1
Rotatable Bond Count 4

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90% <2 Days 4871-71-0 $51.35-$86.31$51.35$63.37$86.31
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