CAS
9041-8-1 Purity
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9041-8-1 Purity
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Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester(7ci)
CAS
90418-62-5
Catalog Number
ACM90418625
Category
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What is the molecular formula of Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester?
The molecular formula is C9H6N2OS2.
What is the molecular weight of Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester?
The molecular weight is 222.3 g/mol.
When was Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester created?
It was created on March 30, 2010.
What is the IUPAC Name of Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester?
The IUPAC Name is (5-hydroxy-1,3-benzothiazol-2-yl)methyl thiocyanate.
What is the Canonical SMILES of Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester?
The Canonical SMILES is C1=CC2=C(C=C1O)N=C(S2)CSC#N.
What is the InChIKey of Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester?
The InChIKey is AELRCMOKRQCWMR-UHFFFAOYSA-N.
What is the XLogP3-AA value of Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor count does Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester?
The topological polar surface area is 110 Ų.
Is Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester a canonicalized compound?
Yes, it is a canonicalized compound.
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