CAS
936902-06-6 Purity
96%
936902-06-6 Purity
96%
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5-Hydroxy-1,2-benzisothiazole-3-carboxylic acid ethyl ester
CAS
936923-43-2
Catalog Number
ACM936923432
Category
Other Products
Molecular Weight
223.248360 [g/mol]
Molecular Formula
C10H9NO3S
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Specification
Synonyms
CTK5H2811, AG-H-82801, ETHYL 5-HYDROXYBENZO[D]ISOTHIAZOLE-3-CARBOXYLATE, 936923-43-2
IUPAC Name
ethyl 5-hydroxy-1,2-benzothiazole-3-carboxylate
Canonical SMILES
CCOC(=O)C1=NSC2=C1C=C(C=C2)O
InChI Key
ITDAEEIRCYJSBY-UHFFFAOYSA-N
Exact Mass
223.03000
H-Bond Acceptor
5
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 5-hydroxy-1,2-benzothiazole-3-carboxylate.
What is the molecular formula of the compound?
The molecular formula of the compound is C10H9NO3S.
What is the molecular weight of the compound?
The molecular weight of the compound is 223.25 g/mol.
When was the compound created and modified?
The compound was created on July 12, 2012, and last modified on December 30, 2023.
What is the InChI key of the compound?
The InChI key of the compound is ITDAEEIRCYJSBY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(=O)C1=NSC2=C1C=C(C=C2)O.
What is the CAS number of the compound?
The CAS number of the compound is 936923-43-2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.5.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
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936923-58-9 Purity
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936939-86-5 Purity
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936939-86-5 Purity
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