2-methyl-4-(thiophen-2-yl)butan-2-ol

2-methyl-4-(thiophen-2-yl)butan-2-ol

CAS: 778646-47-2

Formula: C9H14OS

SMILES: CC(C)(O)CCC1=CC=CS1

IUPAC: 2-methyl-4-(thiophen-2-yl)butan-2-ol

InChI: InChI=1S/C9H14OS/c1-9(2,10)6-5-8-4-3-7-11-8/h3-4,7,10H,5-6H2,1-2H3

Composition: C (63.49%), H (8.29%), O (9.40%), S (18.83%)

Molar Mass: 170.27

Atom Count: 25

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.076536245
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BXDUZUOSPFRPLM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.33
Topological Polar Surface Area	20.23
Polarizability	18.72
Ring Count	1
Rotatable Bond Count	3

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