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Ethiozin

CAT: 0931-T31700Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31700Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64529-56-2
Target
Others
Related Pathways
Others
Bioactivity
Ethiozin is a selective pre- and post-emergence herbicide.
Smiles
O=C1C(=NN=C(SCC)N1N)C(C)(C)C
Molecular Formula
C9H16N4OS
Molecular Weight
228.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethiozin
CAS Number64529-56-2
PubChem CID91689
IUPAC Name4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
Molecular FormulaC9H16N4OS
Molecular Weight228.32
XLogP2.1
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity329
SMILES
CCSC1=NN=C(C(=O)N1N)C(C)(C)C
InChI
InChI=1S/C9H16N4OS/c1-5-15-8-12-11-6(9(2,3)4)7(14)13(8)10/h5,10H2,1-4H3
InChIKey
ADZSGNDOZREKJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethiozin
CAS: 64529-56-2
CID: 91689
Formula: C9H16N4OS
MW: 228.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.32
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass228.10448232
Monoisotopic Mass228.10448232
Topological Polar Surface Area96.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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