CAS
913835-62-8 Purity
98%
913835-62-8 Purity
98%
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5-(Methylthio)pyridin-3-ylthiomethylboronic acid
CAS
913835-66-2
Catalog Number
ACM913835662
Category
Other Products
Molecular Weight
215.104
Molecular Formula
C7H10BNO2S2
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Specification
Synonyms
913835-66-2, 5-(Methylthio)pyridin-3-ylthiomethylboronic acid, ACMC-209r9s, CTK3I6379, MolPort-001-768-270, ANW-39614, OR3334, AKOS015852564, AG-H-74937, KB-02077, B-3882, (5-(methylthio)pyridin-3-ylthio)methyl boronic acid, (5-(Methylthio)pyridin-3-ylthio)methylboronic acid, (5-(Methylthio)pyridin-3-ylthio)methylboronic acid,, I04-2711, {[5-(methylsulfanyl)pyridin-3-yl]sulfanyl}methylboronic acid
IUPAC Name
(5-methylsulfanylpyridin-3-yl)sulfanylmethylboronic acid
Canonical SMILES
B(CSC1=CN=CC(=C1)SC)(O)O
InChI Key
GHHBNWZAAQZNMU-UHFFFAOYSA-N
Boiling Point
412.8ºC at 760 mmHg
Melting Point
142-144ºC
Flash Point
203.5ºC
Density
1.33g/cm³
Exact Mass
215.02500
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 5-(Methylthio)pyridin-3-ylthiomethylboronic acid?
The molecular formula is C7H10BNO2S2.
When was 5-(Methylthio)pyridin-3-ylthiomethylboronic acid created and last modified?
It was created on 2009-07-21 and last modified on 2023-12-30.
What is the IUPAC name of 5-(Methylthio)pyridin-3-ylthiomethylboronic acid?
The IUPAC name is (5-methylsulfanylpyridin-3-yl)sulfanylmethylboronic acid.
What is the InChIKey of 5-(Methylthio)pyridin-3-ylthiomethylboronic acid?
The InChIKey is GHHBNWZAAQZNMU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 5-(Methylthio)pyridin-3-ylthiomethylboronic acid have?
It has 2 hydrogen bond donor counts.
What is the exact mass of 5-(Methylthio)pyridin-3-ylthiomethylboronic acid?
The exact mass is 215.0246011 g/mol.
How many rotatable bond counts does 5-(Methylthio)pyridin-3-ylthiomethylboronic acid have?
It has 4 rotatable bond counts.
Is 5-(Methylthio)pyridin-3-ylthiomethylboronic acid canonicalized?
Yes, it is canonicalized.
What is the topological polar surface area of 5-(Methylthio)pyridin-3-ylthiomethylboronic acid?
The topological polar surface area is 104?2.
How many covalently-bonded unit counts does 5-(Methylthio)pyridin-3-ylthiomethylboronic acid have?
It has one covalently-bonded unit count.
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CAS
913835-67-3 Purity
96%
913835-67-3 Purity
96%
