CAS
94767-47-2 Purity
96%
94767-47-2 Purity
96%
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Acetic acid,2-[(4-chloro-2-methylphenyl)thio]-
CAS
94-76-8
Catalog Number
ACM94768
Category
Other Products
Molecular Weight
216.69
Molecular Formula
C9H9 Cl O2 S
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Specification
Synonyms
[(4-chloro-2-methylphenyl)thio]acetic acid;2-(4-chloro-2-methylphenylthio)acetic acid;4-Chloro-2-methylbenzenemercaptoacetic acid;2-(4-chloro-2-methylphenyl)sulfanylacetic acid;2-(4-chloro-2-methyl-phenyl)sulfanylethanoic acid
IUPAC Name
2-(4-chloro-2-methylphenyl)sulfanylacetic acid
Canonical SMILES
CC1=C(C=CC(=C1)Cl)SCC(=O)O
InChI Key
GREQGIILILTWOH-UHFFFAOYSA-N
Density
1.36g/cm³
EC Number
202-362-7
H-Bond Acceptor
2
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(4-chloro-2-methylphenyl)sulfanylacetic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C9H9ClO2S.
What is the molecular weight of the compound?
The molecular weight of the compound is 216.68 g/mol.
What is the CAS number of the compound?
The CAS number of the compound is 94-76-8.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count in the compound.
How many hydrogen bond acceptor counts are there in the compound?
There are 3 hydrogen bond acceptor counts in the compound.
How many rotatable bond counts are there in the compound?
There are 3 rotatable bond counts in the compound.
What is the exact mass of the compound?
The exact mass of the compound is 216.0011784 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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