CC(=O)C1=CSC=C1
CAS: 1468-83-3
Name: 1-thiophen-3-ylethanone
SMILES: CC(=O)C1=CSC=C1

Molecular Processing

Molecular formula
C6H6OS
Molecular weight
126.18
Exact mass
126.0139
XLogP
1.95
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
34.32

Supplementary Information

InChIKey: RNIDWJDZNNVFDY-UHFFFAOYSA-N
Synonyme
1-(thiophen-3-yl)ethanoneRefChem:8156443-ACETYLTHIOPHENE1468-83-31-(thiophen-3-yl)ethan-1-oneEthanone, 1-(3-thienyl)-Methyl 3-thienyl ketone1-thiophen-3-ylethanone1-(3-Thienyl)ethanone3-acetyl-thiopheneKetone, methyl 3-thienyl1-thien-3-ylethanoneMFCD00005468XB5SQX2RBW3-Acetyl thiopheneMethyl-3-thienyl ketone3-Acetothienone3-AcetylthiopeneEINECS 215-996-4UNII-XB5SQX2RBW3-Acetylthiophene, 98%1-(3-Thienyl)-Ethanone1-thiophen-3-yl-ethanone1-(3-Thienyl)ethanone #SCHEMBL104251-(3-thienyl)-1-ethanoneBIDD:GT00411-(3-Thienyl)ethanone, 9CIorb3030002SCHEMBL1119296
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