tert-butyl (3S)-3-sulfanylpyrrolidine-1-carboxylate

tert-butyl (3S)-3-sulfanylpyrrolidine-1-carboxylate

CAS: 156371-85-6

Formula: C9H17NO2S

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

IUPAC: tert-butyl (3S)-3-sulfanylpyrrolidine-1-carboxylate

InChI: InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-5-4-7(13)6-10/h7,13H,4-6H2,1-3H3/t7-/m0/s1

Composition: C (53.17%), H (8.43%), N (6.89%), O (15.74%), S (15.77%)

Molar Mass: 203.3

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	203.097999965
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	QZVCJLUVFPPQLX-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.7
Topological Polar Surface Area	29.54
Polarizability	21.55
Ring Count	1
Rotatable Bond Count	2

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