CAS
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5-Cyclopropyl-4H-1,2,4-triazole-3-thiol
Catalog Number
ACMA00001247
Category
Amines
Molecular Weight
141.19
Molecular Formula
C5H3ClN2S
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Specification
Hazard Statements
H301
RIDADR
NONH for all modes of transport
Symbol
GHS06
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C7H10N2O2S.
When was the compound first created according to the reference?
The compound was first created on July 30, 2006.
What is the computed IUPAC name of the compound?
The computed IUPAC name is 2-(dimethylamino)-4-methoxy-1,3-thiazole-5-carbaldehyde.
What is the molecular weight of the compound?
The molecular weight is 186.23 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.5.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 70.7Ų.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is BFWSWWYUZQFTTD-UHFFFAOYSA-N.
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