CAS
94405-93-3 Purity
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94405-93-3 Purity
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Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate
CAS
94405-97-7
Catalog Number
ACM94405977
Category
Other Products
Molecular Weight
255.290220 [g/mol]
Molecular Formula
C11H13NO4S
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Specification
Synonyms
EINECS 305-293-1, CID3024350, Methyl 4-(((dimethylamino)carbonyl)thio)salicylate, 94405-97-7
IUPAC Name
methyl 4-(dimethylcarbamoylsulfanyl)-2-hydroxybenzoate
Canonical SMILES
CN(C)C(=O)SC1=CC(=C(C=C1)C(=O)OC)O
InChI Key
JBLVMCUBAVQXCX-UHFFFAOYSA-N
Boiling Point
382.1ºC at 760mmHg
Flash Point
184.9ºC
Density
1.34g/cm³
EC Number
305-293-1
Exact Mass
255.05700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate?
The molecular formula is C11H13NO4S.
What is the molecular weight of Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate?
The molecular weight is 255.29 g/mol.
What is the IUPAC name of Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate?
The IUPAC name is methyl 4-(dimethylcarbamoylsulfanyl)-2-hydroxybenzoate.
What is the InChIKey of Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate?
The InChIKey is JBLVMCUBAVQXCX-UHFFFAOYSA-N.
How many hydrogen bond donors does Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate?
The topological polar surface area is 92.1 Ų.
Is Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate a canonicalized compound?
Yes, it is a canonicalized compound.
How many rotatable bond counts does Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate have?
It has 4 rotatable bond counts.
What is the exact mass of Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate?
The exact mass is 255.05652907 g/mol.
What is the complexity value of Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate?
The complexity value is 295.
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