CAS
92128-82-0 Purity
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92128-82-0 Purity
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Benzothiazole,2-[(isocyanatomethyl)thio]-(9ci)
CAS
92137-10-5
Catalog Number
ACM92137105
Category
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What is the molecular formula of Benzothiazole, 2-[(isocyanatomethyl)thio]-(9ci)?
The molecular formula is C9H6N2OS2.
What is the molecular weight of Benzothiazole, 2-[(isocyanatomethyl)thio]-(9ci)?
The molecular weight is 222.3 g/mol.
When was this compound created?
It was created on 2007-02-08.
What is the IUPAC Name of Benzothiazole, 2-[(isocyanatomethyl)thio]-(9ci)?
The IUPAC name is 2-(isocyanatomethylsulfanyl)-1,3-benzothiazole.
What is the InChI of this compound?
The InChI is InChI=1S/C9H6N2OS2/c12-5-10-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2.
What is the InChIKey of Benzothiazole, 2-[(isocyanatomethyl)thio]-(9ci)?
The InChIKey is SGVINURPXZYECK-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Benzothiazole, 2-[(isocyanatomethyl)thio]-(9ci) have?
It has 5 hydrogen bond acceptors.
What is the topological polar surface area of this compound?
The topological polar surface area is 95.9 2.
Does Benzothiazole, 2-[(isocyanatomethyl)thio]-(9ci) have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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