tert-butyl 4-[(4-bromophenyl)sulfanyl]piperidine-1-carboxylate

tert-butyl 4-[(4-bromophenyl)sulfanyl]piperidine-1-carboxylate

CAS: 188527-03-9

Formula: C16H22BrNO2S

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)SC1=CC=C(Br)C=C1

IUPAC: tert-butyl 4-[(4-bromophenyl)sulfanyl]piperidine-1-carboxylate

InChI: InChI=1S/C16H22BrNO2S/c1-16(2,3)20-15(19)18-10-8-14(9-11-18)21-13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3

Composition: C (51.62%), H (5.96%), Br (21.46%), N (3.76%), O (8.59%), S (8.61%)

Molar Mass: 372.32

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	371.055463
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZZOAAIWOHGSKMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.69
Topological Polar Surface Area	29.54
Polarizability	35.71
Ring Count	2
Rotatable Bond Count	4

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