CAS
906477-25-6 Purity
98%
906477-25-6 Purity
98%
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2-(4-Chlorobenzylthio)acetic acid
CAS
90649-82-4
Catalog Number
ACM90649824
Category
Other Products
Molecular Weight
216.684560 [g/mol]
Molecular Formula
C9H9ClO2S
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Specification
Synonyms
2-(4-Chlorobenzylthio)acetic acid;[(4-Chlorobenzyl)thio]acetic acid
IUPAC Name
2-[(4-chlorophenyl)methylsulfanyl]acetic acid
InChI Key
SAYBRQDMVZLOPM-UHFFFAOYSA-N
Boiling Point
356.2ºC at 760mmHg
Flash Point
169.2ºC
Density
1.36g/cm³
Exact Mass
216.00100
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 2-(4-Chlorobenzylthio)acetic acid?
The molecular formula of 2-(4-Chlorobenzylthio)acetic acid is C9H9ClO2S.
What is the molecular weight of 2-(4-Chlorobenzylthio)acetic acid?
The molecular weight of 2-(4-Chlorobenzylthio)acetic acid is 216.68 g/mol.
When was 2-(4-Chlorobenzylthio)acetic acid created and last modified in PubChem?
2-(4-Chlorobenzylthio)acetic acid was created on 2005-03-26 and last modified on 2023-12-30.
What is the IUPAC name of 2-(4-Chlorobenzylthio)acetic acid?
The IUPAC name of 2-(4-Chlorobenzylthio)acetic acid is 2-[(4-chlorophenyl)methylsulfanyl]acetic acid.
What is the Canonical SMILES representation of 2-(4-Chlorobenzylthio)acetic acid?
The Canonical SMILES representation of 2-(4-Chlorobenzylthio)acetic acid is C1=CC(=CC=C1CSCC(=O)O)Cl.
What is the InChI key of 2-(4-Chlorobenzylthio)acetic acid?
The InChI key of 2-(4-Chlorobenzylthio)acetic acid is SAYBRQDMVZLOPM-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-(4-Chlorobenzylthio)acetic acid have?
2-(4-Chlorobenzylthio)acetic acid has 1 hydrogen bond donor count.
What is the XLogP3 value of 2-(4-Chlorobenzylthio)acetic acid?
The XLogP3 value of 2-(4-Chlorobenzylthio)acetic acid is 2.7.
How many rotatable bond counts does 2-(4-Chlorobenzylthio)acetic acid have?
2-(4-Chlorobenzylthio)acetic acid has 4 rotatable bond counts.
Is 2-(4-Chlorobenzylthio)acetic acid a canonicalized compound according to PubChem?
Yes, 2-(4-Chlorobenzylthio)acetic acid is a canonicalized compound in PubChem.
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