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(3E)-4-(thiophen-2-yl)but-3-en-2-one

(3E)-4-(thiophen-2-yl)but-3-en-2-one

CAS: 33603-63-3

Formula: C8H8OS

SMILES: CC(=O)C=CC1=CC=CS1

IUPAC: (3E)-4-(thiophen-2-yl)but-3-en-2-one

InChI: InChI=1S/C8H8OS/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+

Composition: C (63.13%), H (5.30%), O (10.51%), S (21.06%)

Molar Mass: 152.21

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 152.029586052
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CIMALVIHZVKKPE-SNAWJCMRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.5
Topological Polar Surface Area 17.07
Polarizability 16.17
Ring Count 1
Rotatable Bond Count 2

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