CAS
91260-72-9 Purity
96%
91260-72-9 Purity
96%
![Bis[1,1,1-trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-6-[(1,3,4-thiadiazol-2-yl-n3)azo-n1]-7-isoquinolinyl]methanesulfonamidato-n]zinc](https://resource.alfa-chemistry.com/structure/912628-37-6.gif)
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2-Phenyl-d5-ethyl isothiocyanate
CAS
912627-98-6
Catalog Number
ACM912627986
Category
Other Products
Molecular Weight
168.27000
Molecular Formula
168.27
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Specification
IUPAC Name
[phenyl-2H5]phenethyl isothiocyanate
Exact Mass
168.07700
What is the molecular formula of 2-Phenyl-d5-ethyl isothiocyanate?
The molecular formula of 2-Phenyl-d5-ethyl isothiocyanate is C9H9NS.
What is the molecular weight of 2-Phenyl-d5-ethyl isothiocyanate?
The molecular weight of 2-Phenyl-d5-ethyl isothiocyanate is 168.27 g/mol.
When was 2-Phenyl-d5-ethyl isothiocyanate created and last modified in the database?
2-Phenyl-d5-ethyl isothiocyanate was created on 2006-10-26 and last modified on 2023-12-30.
What is the IUPAC name of 2-Phenyl-d5-ethyl isothiocyanate?
The IUPAC name of 2-Phenyl-d5-ethyl isothiocyanate is 1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene.
Can you provide the Canonical SMILES of 2-Phenyl-d5-ethyl isothiocyanate?
The Canonical SMILES of 2-Phenyl-d5-ethyl isothiocyanate is C1=CC=C(C=C1)CCN=C=S.
What is the XLogP3 value of 2-Phenyl-d5-ethyl isothiocyanate?
The XLogP3 value of 2-Phenyl-d5-ethyl isothiocyanate is 3.5.
How many Hydrogen Bond Acceptor Count does 2-Phenyl-d5-ethyl isothiocyanate have?
2-Phenyl-d5-ethyl isothiocyanate has 2 Hydrogen Bond Acceptor Count.
What is the Topological Polar Surface Area of 2-Phenyl-d5-ethyl isothiocyanate?
The Topological Polar Surface Area of 2-Phenyl-d5-ethyl isothiocyanate is 44.4 Å2.
How many Rotatable Bond Count does 2-Phenyl-d5-ethyl isothiocyanate have?
2-Phenyl-d5-ethyl isothiocyanate has 3 Rotatable Bond Count.
Is the compound Is Canonicalized?
Yes, the compound of 2-Phenyl-d5-ethyl isothiocyanate is canonicalized.
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