3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

Formula: C26H33NO3S2

SMILES: CC(C)(C)C1=CC(CCCOC(=O)CSC2=NC3=CC=CC=C3S2)=CC(=C1O)C(C)(C)C

IUPAC: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

InChI: InChI=1S/C26H33NO3S2/c1-25(2,3)18-14-17(15-19(23(18)29)26(4,5)6)10-9-13-30-22(28)16-31-24-27-20-11-7-8-12-21(20)32-24/h7-8,11-12,14-15,29H,9-10,13,16H2,1-6H3

Composition: C (66.21%), H (7.05%), N (2.97%), O (10.18%), S (13.59%)

Molar Mass: 471.67

Atom Count: 65

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	471.190186275
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ARWNQRCBKSRSBG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.64
Topological Polar Surface Area	59.42
Polarizability	53.45
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H33NO3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00