4-Amino-5-[(2,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol

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Catalog Number
ACM117480894
Product Name
4-Amino-5-[(2,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Structure
Structure
CAS
117480-89-4
Category
Heterocyclic Organic Compound
Synonyms
ZINC04206442, 117480-89-4
IUPAC Name
4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiolate
Molecular Weight
250.320
Molecular Formula
C11H14N4OS
Canonical SMILES
CC1=CC(=C(C=C1)OCC2=NNC(=S)N2N)C
InChI Key
CKKNRSAFAAAFSE-UHFFFAOYSA-M
Boiling Point
386.9ºC at 760mmHg
Flash Point
187.8ºC
Density
1.36g/cm³
Exact Mass
250.08900
H-Bond Acceptor
5
H-Bond Donor
1
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