CAS
94108-08-4 Purity
96%
94108-08-4 Purity
96%
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Methyl 4-[(dimethylamino)thioxomethoxy]salicylate
CAS
94108-13-1
Catalog Number
ACM94108131
Category
Other Products
Molecular Weight
255.290220 [g/mol]
Molecular Formula
C11H13NO4S
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Specification
Synonyms
EINECS 302-351-8, CID3023552, Methyl 4-((dimethylamino)thioxomethoxy)salicylate, 94108-13-1
IUPAC Name
methyl 4-(dimethylcarbamothioyloxy)-2-hydroxybenzoate
Canonical SMILES
CN(C)C(=S)OC1=CC(=C(C=C1)C(=O)OC)O
InChI Key
HUUAMQCGSPKFSI-UHFFFAOYSA-N
Boiling Point
348.6ºC at 760mmHg
Flash Point
164.6ºC
Density
1.309g/cm³
EC Number
302-351-8
Exact Mass
255.05700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Methyl 4-[(dimethylamino)thioxomethoxy]salicylate?
The molecular formula is C11H13NO4S.
When was Methyl 4-[(dimethylamino)thioxomethoxy]salicylate created and modified?
It was created on August 8, 2005, and modified on December 30, 2023.
What is the IUPAC Name of Methyl 4-[(dimethylamino)thioxomethoxy]salicylate?
The IUPAC Name is methyl 4-(dimethylcarbamothioyloxy)-2-hydroxybenzoate.
What is the InChIKey of Methyl 4-[(dimethylamino)thioxomethoxy]salicylate?
The InChIKey is HUUAMQCGSPKFSI-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 4-[(dimethylamino)thioxomethoxy]salicylate?
The Canonical SMILES is CN(C)C(=S)OC1=CC(=C(C=C1)C(=O)OC)O.
What is the Molecular Weight of Methyl 4-[(dimethylamino)thioxomethoxy]salicylate?
The Molecular Weight is 255.29 g/mol.
How many Hydrogen Bond Donor Counts does Methyl 4-[(dimethylamino)thioxomethoxy]salicylate have?
It has 1 Hydrogen Bond Donor Count.
What is the Exact Mass of Methyl 4-[(dimethylamino)thioxomethoxy]salicylate?
The Exact Mass is 255.05652907 g/mol.
How many Rotatable Bond Counts does Methyl 4-[(dimethylamino)thioxomethoxy]salicylate have?
It has 4 Rotatable Bond Counts.
Is the Compound Canonicalized for Methyl 4-[(dimethylamino)thioxomethoxy]salicylate?
Yes, the compound is canonicalized.
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