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CAS Number: 122684-35-9
tert-butyl 3-carbamothioylpyrrolidine-1-carboxylate

Structure

 tert-butyl 3-carbamothioylpyrrolidine-1-carboxylate
Name: tert-butyl 3-carbamothioylpyrrolidine-1-carboxylate
Synonyms:
General Information
Product Number: 122684359

CAS Registry Number 122684-35-9
Name:
1-?Pyrrolidinecarboxyli?c acid, 3-?(aminothioxomethyl)?-?, 1,?1-?dimethylethyl ester
3-Thiocarbamoylpyrrolidine-1-carboxylic acid tert-butyl ester

 

Chemical Formula: C10H18N2O2S
Exact Mass: 230.11
Molecular Weight: 230.33
m/z: 230.11 (100.0%), 231.11 (12.4%), 232.10 (4.5%)

 

InChI:InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-5-4-7(6-12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)

InChI Key:FKLPAGOTHFVRLL-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(C1)C(=S)N

 

Thermal Properties Value Condition Note
Melting Point 131-133 °C   (1)IC

Specification

98%
References
  1. (1) MacLeod, Angus M.; Journal of Medicinal Chemistry 1990, V33(7), P2052-9 CAPLUS
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