Tert-butyl 2-isothiocyanatoacetate

Base Information

• Chemical Name: Tert-butyl 2-isothiocyanatoacetate
• CAS No.: 58511-02-7
• Molecular Formula: C7H11NO2S
• Molecular Weight: 173.236
• DSSTox Substance ID: DTXSID20604024

Synonyms:58511-02-7;tert-butyl N-(thioxomethylene)glycinate;TERT-BUTYL 2-ISOTHIOCYANATOACETATE;t-butyl isothiocyanatoacetate;Acetic acid, isothiocyanato-, 1,1-dimethylethyl ester;SCHEMBL3610450;DTXSID20604024;CCYGJGXVVDNERO-UHFFFAOYSA-N;AKOS026740937;BS-12514;G47201;tert-Butyl N-(sulfanylidenemethylidene)glycinate;EN300-6740912

Chemical Property of Tert-butyl 2-isothiocyanatoacetate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 173.05104977
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CN=C=S

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