Basic information
- CAS
64529-56-2- Standard SMILES
CCSc1nnc(C(C)(C)C)c(=O)n1N- InChIKey
ADZSGNDOZREKJK-UHFFFAOYSA-N- Molecular formula
- C9H16N4OS
- Average molar mass
- 228.32 g/mol
- Monoisotopic mass
- 228.10448213
Names & identifiers
- Preferred name
- Ethiozin
- IUPAC
- 4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
- English name
- TYCOR (TM)
- Molecular formula
- C9H16N4OS
- Molecular weight
- 228.31
Names & synonyms
Ethiozin64529-56-2TycorLektanEthyl metribuzinBAY dic 1559BAY smy 1500SMY 1500UNII-10075DWR0DBRN 502356710075DWR0DETHIOZIN [MI]
Show more names
smy1500ETH10ZINLEKTAN(R)EBUZIN(R)baysmy1500baydic1559TYCOR (TM)
4-Amino-6-(1,1-dimethylethyl)-3-(ethylthio)-1,2,4-triazin-5(4H)-one4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-oneDTXSID10419261,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(ethylthio)-1,2,4-Triazin-5(4H)one, 4-amino-6-(1,1-dimethylethyl)-3-(ethylthio)-4-AMINO-6-TERT-BUTYL-3-ETHYLTHIO-1,2,4-TRIAZIN-5(4H)-ONERefChem:138410DTXCID9021926
Database identifiers
- CAS
64529-56-2- PubChem CID
- 91689
- DTXSID
DTXSID1041926- UNII
- 10075DWR0D
- Nikkaji
- J387.990I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
LogP2.08
Physicochemical properties
- Melting point
- 95 ° · 95°
- Boiling point
- 327.5 · 327.5±25.0 °C(Predicted)
- Density
- 1.208 · 1.2080 (rough estimate)
- refractive index
- 1.639 · 1.6390 (estimate)
- pka
- 0.16 · 0.16±0.20(Predicted)
- Henry's Law Constant
- 2 · 2.0×102 mol/(m3Pa) at 25℃, MacBean (2012)
- FDA UNII
- 10075 DWR0D · 10075DWR0D
- EPA Substance Registry System
- Ethiozin (64529-56-2)
- Toxicity
- 50 in · LD50 in male, female rats (mg/kg): 2470, 1280 orally (Hack)
Safety & regulation
Safety data
- Toxicity
- LD50 in male, female rats (mg/kg): 2470, 1280 orally (Hack)
Chemistry & industry
Applications
UsesHerbicide.
Upstream & downstream products
Upstream raw materials
Suppliers12 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
上海毕楷科技有限公司18516304666
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
常州阿桑奇科技有限公司18961267976 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
3 records
Compound notes
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