tert-Butyl N-{[(tert-butoxycarbonyl)amino](methylthio)methylene}carbamate

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Systematic / IUPAC Name: Bis(2-methyl-2-propanyl) [(Z)-(methylsulfanyl)methylylidene]biscarbamate

ID: Reference7026

Other Names: N,N'-Di-Boc-S-methylisothiourea ;
N,N-Di-Boc-S-methylisothiourea;
tert-Butyl (NZ)-N-{[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene}carbamate ;
1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea;
1,3-Bis-(tert-butoxycarbonyl)-2-methyl-thiopseudourea ; more

Formula: C12H22N2O4S

Spectral Data

tert-Butyl N-{[(tert-butoxycarbonyl)amino](methylthio)methylene}carbamate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 9:35:39 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H22N2O4S/c1-11(2,3)17-9(15)13-8(19-7)14-10(16)18-12(4,5)6/h1-7H3,(H,13,14,15,16)
InChI Key UQJXXWHAJKRDKY-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)SC
CAS 107819909
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Other Names N,N'-Di-Boc-S-methylisothiourea ;
N,N-Di-Boc-S-methylisothiourea;
tert-Butyl (NZ)-N-{[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene}carbamate ;
1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea;
1,3-Bis-(tert-butoxycarbonyl)-2-methyl-thiopseudourea;
1,3-di-(tert-Butoxycarbonyl)-2-methylisothiourea;
1,3-Di-Boc-2-methylisothiourea

In Other Databases

PubChem 546603; 5365171; 6376008
ChemSpider 475772