CAS
94006-32-3 Purity
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94006-32-3 Purity
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2,2,2-Trifluoro-N-(4-mercaptophenyl)acetamide
CAS
94006-35-6
Catalog Number
ACM94006356
Category
Other Products
Molecular Weight
221.199550 [g/mol]
Molecular Formula
C8H6F3NOS
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Specification
Synonyms
EINECS 301-371-4, CID3023255, 2,2,2-Trifluoro-N-(4-mercaptophenyl)acetamide, 94006-35-6
IUPAC Name
2,2,2-trifluoro-N-(4-sulfanylphenyl)acetamide
Canonical SMILES
C1=CC(=CC=C1NC(=O)C(F)(F)F)S
InChI Key
WJSDFLAFDAZHPZ-UHFFFAOYSA-N
Boiling Point
305.8ºC at 760mmHg
Flash Point
138.7ºC
Density
1.459g/cm³
EC Number
301-371-4
Exact Mass
221.01200
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2,2,2-Trifluoro-N-(4-mercaptophenyl)acetamide?
The molecular formula is C8H6F3NOS.
When was this compound created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 2,2,2-trifluoro-N-(4-sulfanylphenyl)acetamide.
What is the InChIKey of this compound?
The InChIKey is WJSDFLAFDAZHPZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does this compound have?
It has 2 hydrogen bond donor counts.
What is the exact mass of this compound?
The exact mass is 221.01221947 g/mol.
What is the topological polar surface area of this compound?
The topological polar surface area is 30.1 Ų.
How many heavy atoms are present in this compound?
There are 14 heavy atoms present.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the CAS number of this compound?
The CAS number is 94006-35-6.
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