CAS
90871-42-4 Purity
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90871-42-4 Purity
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4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
CAS
90871-45-7
Catalog Number
ACM90871457
Category
Other Products
Molecular Weight
220.29
Molecular Formula
C10H12N4S
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Specification
Synonyms
4-propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol, 90871-45-7, 4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, AC1LIC8T, AC1Q2XVI, Ambcb7884828, SureCN1544660, Oprea1_825121, MLS000765291, CTK5G8556, MolPort-001-002-723, MolPort-002-909-635, HMS1666C17, HMS2734E16, STL381292, AKOS000117548, AG-H-72898, MCULE-8979261581, ML00400, AK107303
IUPAC Name
4-propyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Canonical SMILES
CCCN1C(=NNC1=S)C2=CC=NC=C2
InChI Key
LZRLGHCSTYKCRQ-UHFFFAOYSA-N
Boiling Point
323.6ºC at 760 mmHg
Flash Point
149.5ºC
Density
1.3g/cm³
Exact Mass
220.07800
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The molecular formula is C10H12N4S.
What is the molecular weight of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The molecular weight is 220.30 g/mol.
What is the IUPAC name of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The IUPAC name is 4-propyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
What is the InChI of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The InChI is InChI=1S/C10H12N4S/c1-2-7-14-9(12-13-10(14)15)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3,(H,13,15).
What is the InChIKey of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The InChIKey is LZRLGHCSTYKCRQ-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The Canonical SMILES is CCCN1C(=NNC1=S)C2=CC=NC=C2.
What is the CAS ID of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The CAS ID is 90871-45-7.
What is the ChEMBL ID of 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol?
The ChEMBL ID is CHEMBL1560556.
How many hydrogen bond donor counts does 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol have?
It has 1 hydrogen bond donor count.
Is 4-Propyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol a canonicalized compound?
Yes, the compound is canonicalized.
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