tert-butyl (3R)-3-[(4-chlorophenyl)sulfanyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(4-chlorophenyl)sulfanyl]pyrrolidine-1-carboxylate

CAS: 1289585-33-6

Formula: C15H20ClNO2S

SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)SC1=CC=C(Cl)C=C1

IUPAC: tert-butyl (3R)-3-[(4-chlorophenyl)sulfanyl]pyrrolidine-1-carboxylate

InChI: InChI=1S/C15H20ClNO2S/c1-15(2,3)19-14(18)17-9-8-13(10-17)20-12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3/t13-/m1/s1

Composition: C (57.41%), H (6.42%), Cl (11.30%), N (4.46%), O (10.20%), S (10.22%)

Molar Mass: 313.84

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	313.0903278
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MEYYYYJAZMMAHH-CYBMUJFWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.08
Topological Polar Surface Area	29.54
Polarizability	32.99
Ring Count	2
Rotatable Bond Count	4

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