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methyl 2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate

HCID 158296
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Basic information

Standard SMILES
CNC(=O)ON=C(SC)C(F)(F)F
InChIKey
MPZDQCBDARCNND-UHFFFAOYSA-N
Molecular formula
C5H7F3N2O2S
Average molar mass
216.18 g/mol

Names & identifiers

Preferred name
methyl 2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate
IUPAC
methyl 2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate

Names & synonyms

MPZDQCBDARCNND-UHFFFAOYSA-Nmethyl 2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate

Database identifiers

PubChem CID
158296

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
76 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
216

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Related reactions

2 records
New reaction record
HRID 93005 reaction equation
HRID 93005As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1542668 reaction equation
HRID 1542668As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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