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tert-butyl N-(2-carbamothioylethyl)carbamate(CAS: 77152-97-7)

tert-butyl N-(2-carbamothioylethyl)carbamate
CAS Number

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Basic Information

Molecular Formula
C8H16N2O2S
Molecular Weight
204.29 g/mol

Physical Properties

Melting Point
109-112 ºC
Density
1.124

Chemical Identifiers

SMILES
CC(C)(C)OC(=O)NCCC(=S)N
InChIKey
OBDMXQCRRWGEQM-UHFFFAOYSA-N

Database References

MDL Number
MFCD02180883

FAQ

Tert-butyl N-(2-carbamothioylethyl)carbamate (CAS: 77152-97-7) is a crystalline solid with a molecular weight of approximately 264.33 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. It is also a potent carbamothioate ester, which makes it susceptible to nucleophilic substitution reactions.
Tert-butyl N-(2-carbamothioylethyl)carbamate (CAS: 77152-97-7) is typically synthesized by reacting tert-butyl isothiocyanate with ethyl isothiocyanate in the presence of a suitable base such as triethylamine. The reaction selectively forms the carbamothioate ester with high yield, making it a common synthetic route for this compound.
Tert-butyl N-(2-carbamothioylethyl)carbamate (CAS: 77152-97-7) is mainly used in the pharmaceutical industry for medicinal chemistry and drug synthesis. It also has applications in the polymer industry for modifying polymers and in the electronics industry for creating sensors and semiconductors.
When handling tert-butyl N-(2-carbamothioylethyl)carbamate (CAS: 77152-97-7), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be managed carefully using appropriate spill kits, and the material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for detailed handling instructions and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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