CAS
95648-85-4 Purity
96%
95648-85-4 Purity
96%
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5-(Benzo[b]thiazol-2-yl)thiophene-2-boronic acid
CAS
956501-19-2
Catalog Number
ACM956501192
Category
Other Products
Molecular Weight
261.13
Molecular Formula
C11H8BO2S2
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Specification
Synonyms
5-(BENZO[D]THIAZOL-2-YL)THIOPHENE-2-BORONIC ACID
IUPAC Name
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]boronic acid
Canonical SMILES
B(C1=CC=C(S1)C2=NC3=CC=CC=C3S2)(O)O
InChI Key
CXDWUVFXUHCNPL-UHFFFAOYSA-N
Exact Mass
261.00900
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 53398601?
The molecular formula is C11H8BNO2S2.
When was the compound first created according to PubChem records?
The compound was first created on October 30, 2011.
What is the molecular weight of the compound?
The molecular weight is 261.1 g/mol.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 261.0089510 g/mol.
How many hydrogen bond acceptor counts are there in the compound?
There are 5 hydrogen bond acceptor counts.
What is the InChIKey of the compound?
The InChIKey is CXDWUVFXUHCNPL-UHFFFAOYSA-N.
How many rotatable bond counts are there in the compound?
There are 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 110 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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