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5-methylthiophene-3-carbonyl chloride

5-methylthiophene-3-carbonyl chloride

CAS: 754190-97-1

Formula: C6H5ClOS

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

IUPAC: 5-methylthiophene-3-carbonyl chloride

InChI: InChI=1S/C6H5ClOS/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3

Composition: C (44.87%), H (3.14%), Cl (22.07%), O (9.96%), S (19.96%)

Molar Mass: 160.62

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 159.9749637
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OQUPBCYHMQGLJO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.33
Topological Polar Surface Area 17.07
Polarizability 14.58
Ring Count 1
Rotatable Bond Count 1

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