CAS
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1-Methyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
Catalog Number
ACMA00001401
Category
Amines
Molecular Weight
166.20
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Specification
Hazard Statements
H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C6H6N4S.
What is the molecular weight of the compound?
The molecular weight of the compound is 166.21 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-methyl-7H-pyrazolo[3,4-d]pyrimidine-4-thione.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H6N4S/c1-10-5-4(2-9-10)6(11)8-3-7-5/h2-3H,1H3,(H,7,8,11).
What is the InChIKey of the compound?
The InChIKey of the compound is JFSLGAFJXFHPDH-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CN1C2=C(C=N1)C(=S)N=CN2.
What is the CAS number of the compound?
The CAS number of the compound is 6014-06-8.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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