[3,5-bis(tert-butylsulfanyl)phenyl]methyl acetate

[3,5-bis(tert-butylsulfanyl)phenyl]methyl acetate

Formula: C17H26O2S2

SMILES: CC(=O)OCC1=CC(SC(C)(C)C)=CC(SC(C)(C)C)=C1

IUPAC: [3,5-bis(tert-butylsulfanyl)phenyl]methyl acetate

InChI: InChI=1S/C17H26O2S2/c1-12(18)19-11-13-8-14(20-16(2,3)4)10-15(9-13)21-17(5,6)7/h8-10H,11H2,1-7H3

Composition: C (62.54%), H (8.03%), O (9.80%), S (19.64%)

Molar Mass: 326.51

Atom Count: 47

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	326.137422425
Formal Charge	0
FSP3	0.59
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PHEUSZAMYDZDIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.45
Topological Polar Surface Area	26.3
Polarizability	37.44
Ring Count	1
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<14 Days	C17H26O2S2		Quote Only