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tert-butyl 3-(thiophen-2-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(thiophen-2-yl)pyrrolidine-1-carboxylate

CAS: 630121-93-6

Formula: C13H19NO2S

SMILES: CC(C)(C)OC(=O)N1CCC(C1)C1=CC=CS1

IUPAC: tert-butyl 3-(thiophen-2-yl)pyrrolidine-1-carboxylate

InChI: InChI=1/C13H19NO2S/c1-13(2,3)16-12(15)14-7-6-10(9-14)11-5-4-8-17-11/h4-5,8,10H,6-7,9H2,1-3H3

Composition: C (61.63%), H (7.56%), N (5.53%), O (12.63%), S (12.65%)

Molar Mass: 253.36

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 253.11365003
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DLZXODFTSZFPID-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.74
Topological Polar Surface Area 29.54
Polarizability 26.74
Ring Count 2
Rotatable Bond Count 3

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95% 1 Day 630121-93-6 $280.10-$3,095.82$280.10$515.97$1,031.94$3,095.82
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