Completing data — usually done within a minute
Basic information
- Standard SMILES
COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1- InChIKey
AHTPATJNIAFOLR-UHFFFAOYSA-N- Molecular formula
- C12H13N5O6S2
- Average molar mass
- 387.399 g/mol
- Monoisotopic mass
- 387.03072514
Names & identifiers
- Preferred name
- Thifensulfuron methyl
- IUPAC
- Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylate
- English name
- Thifensulfuron methyl
- Molecular formula
- C12H13N5O6S2
- Molecular weight
- 387.39
Names & synonyms
THIFENSULFURON-METHYLPINNACLEHARMONYdpx-m6316ThifensuLthiameturonHarmony(TM)furon MethyLPINNACLE (TM)Harmony(Du Pont)
Database identifiers
- CAS
79277-27-3- PubChem CID
- 73674
- DTXSID
DTXSID1024124- ChEMBL
CHEMBL1904815- ChEBI
CHEBI:83453- UNII
- 5VFH25ES6F
- EC Number
- 616-673-4
- Nikkaji
- J372.958C
Properties
Physicochemical properties
- Melting point
- 176 °C · 176°C
- Density
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Practically insoluble in water
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- pka
- 25 °: · pKa at 25°: 4.0
- form
- Solid
- color
- White to Almost white
- λmax
- 280 nm · 280nm(Acidic aq.)(lit.)
- Merck
- 14 · 14,9316
- BRN
- 7448062 · 7448062
- Henry's Law Constant
- 3.4 · 3.4×108 mol/(m3Pa) at 25℃, HSDB (2015)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
- InChIKey
- AHTPATJNIAFOLR-UHFFFAOYSA-N
- SMILES
- COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
- LogP
- 1.56 · 1.560
- CAS DataBase Reference
- 79277 · 79277-27-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 VFH25ES6F · 5VFH25ES6F
- Pesticides Freedom of Information Act (FOIA)
- Harmony
- EPA Substance Registry System
- Thifensulfuron-methyl (79277-27-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- PPE
- Eyeshields, Gloves
- Hazard Codes
- N
- Risk Statements
- 50 · 50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 3077 · UN3077 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 8463000 · XM8463000
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29350090 · 29350090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
- Hazardous Substances Data
- 79277 · 79277-27-3(Hazardous Substances Data)
- Toxicity
- 50 · LC50 (96-hour) for both bluegill sunsh and rainbow trout >100 mg/L; LC50 (48-hour) for Daphnia magna >1,000 mg/L (Humburg et al., 1989); acute oral LD50 for rats >5,000 mg/kg (Hartley and Kidd, 1987).
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- rtecs
- XM8463000
- ridadr
- UN3077 9/PG 3
- hs_code
- 29350090
- Toxicity
- LC50 (96-hour) for both bluegill sunsh and rainbow trout >100 mg/L; LC50 (48-hour) for Daphnia magna >1,000 mg/L (Humburg et al., 1989); acute oral LD50 for rats >5,000 mg/kg (Hartley and Kidd, 1987).
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P391-P501
- Hazardous Substances Data
- 79277-27-3(Hazardous Substances Data)
Chemistry & industry
Applications
UsesPostemergence herbicide used to control wild garlic and many broad-leaved weeds in barley and spring wheat.
UsesHerbicide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海艾梯西生物科技有限公司18721763493
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
北京海岸鸿蒙标准物质技术有限责任公司13240431552 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
上海毕楷科技有限公司18516304666
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北薪和化工有限公司027-83258456 15392830626 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
武汉弘德悦欣医药科技有限公司027-83855396 15271852016
上海孚一生物科技有限公司+86 (21) 61124340
湖北宝凌化工科技有限公司13129969326 · [email protected]
常州百涛实业有限公司0519-82309982
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
湖北玖丰隆化工有限公司13277936479 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
Additional notes
DefinitionChEBI: A methyl ester resulting from the formal condensation of the carboxy group of thifensulfuron with methanol. It is used as a post-emergence herbicide for the control of grass and broad-leaved weeds.
Related reactions
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