CAS
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2-(4-Fluorobenzylthio)ethylamine
Catalog Number
ACMA00001683
Category
Aryl Fluorinated Building Blocks
Molecular Weight
185.26
Molecular Formula
C9H12FN
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Specification
Hazard Statements
H302-H319
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS07
What is the molecular formula of 2-(4-Fluorobenzylthio)ethylamine?
The molecular formula is C9H12FNS.
What is the molecular weight of 2-(4-Fluorobenzylthio)ethylamine?
The molecular weight is 185.26 g/mol.
What is the IUPAC name of 2-(4-Fluorobenzylthio)ethylamine?
The IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]ethanamine.
What is the InChI for 2-(4-Fluorobenzylthio)ethylamine?
The InChI is InChI=1S/C9H12FNS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4H,5-7,11H2.
What is the InChIKey for 2-(4-Fluorobenzylthio)ethylamine?
The InChIKey is ZZZHOBZYZWMETL-UHFFFAOYSA-N.
What is the Canonical SMILES for 2-(4-Fluorobenzylthio)ethylamine?
The Canonical SMILES is C1=CC(=CC=C1CSCCN)F.
What is the CAS number for 2-(4-Fluorobenzylthio)ethylamine?
The CAS number is 143627-49-0.
How many hydrogen bond donor counts are there in 2-(4-Fluorobenzylthio)ethylamine?
There is one hydrogen bond donor count.
What is the XLogP3-AA value for 2-(4-Fluorobenzylthio)ethylamine?
The XLogP3-AA value is 1.5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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