CAS
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4-Cyclopropyl-4H-1,2,4-triazole-3-thiol
Catalog Number
ACMA00001242
Category
Amines
Molecular Weight
141.19
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Specification
Hazard Statements
H301
RIDADR
NONH for all modes of transport
Symbol
GHS06
What is the molecular formula of 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol?
The molecular formula is C5H7N3S.
How much does 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol weigh?
It weighs 141.20 g/mol.
What is the IUPAC name of 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol?
The IUPAC name is 4-cyclopropyl-1H-1,2,4-triazole-5-thione.
What is the InChI for 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol?
The InChI is InChI=1S/C5H7N3S/c9-5-7-6-3-8(5)4-1-2-4/h3-4H,1-2H2,(H,7,9).
What is the InChIKey for 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol?
The InChIKey is RQECFEVNVXJQEC-UHFFFAOYSA-N.
What is the canonical SMILES representation of 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol?
The canonical SMILES is C1CC1N2C=NNC2=S.
What is the CAS number for 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol?
The CAS number is 667437-96-9.
How many hydrogen bond donor counts does 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol?
The topological polar surface area is 59.7Ų.
Is 4-Cyclopropyl-4H-1,2,4-triazole-3-thiol a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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