5-tert-butyl-1-benzothiophene

5-tert-butyl-1-benzothiophene

CAS: 17515-00-3

Formula: C12H14S

SMILES: CC(C)(C)C1=CC=C2SC=CC2=C1

IUPAC: 5-tert-butyl-1-benzothiophene

InChI: InChI=1S/C12H14S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-8H,1-3H3

Composition: C (75.74%), H (7.42%), S (16.85%)

Molar Mass: 190.3

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	190.081621625
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	PIEDRQBNWAWCDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.06
Topological Polar Surface Area	0
Polarizability	23.86
Ring Count	2
Rotatable Bond Count	1

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