Basic information
- CAS
110895-43-7- Standard SMILES
CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C- InChIKey
NKNFWVNSBIXGLL-UHFFFAOYSA-N- Molecular formula
- C13H22N4O3S
- Average molar mass
- 314.41 g/mol
- Monoisotopic mass
- 314.14126175
Overview
Triazamate is a triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an ethyl ester, an aryl sulfide and a triazole insecticide. It derives from a hydride of a 1H-1,2,4-triazole.
Names & identifiers
- Preferred name
- Triazamate
- IUPAC
- ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
- English name
- 1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole
- Molecular weight
- 0
Names & synonyms
Triazamate112143-82-5TriazuronAPHISTARB4914SW93TRH-7988WL-145158DTXSID5034307CHEBI:38576ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetateAcetic acid, ((1-((dimethylamino)carbonyl)-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl esterethyl ((3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl)sulfanyl)acetate
Show more names
RefChem:899055DTXCID3014307411-650-3Triazamat1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazoleethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate110895-43-7Triazamate [ISO:BSI]
Database identifiers
- CAS
110895-43-7、112143-82-5- PubChem CID
- 86306
- DTXSID
DTXSID5034307- ChEBI
CHEBI:38576- UNII
- B4914SW93T
- EC Number
- 411-650-3、601-165-7
- Nikkaji
- J679.699K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Pesticides
Insecticides
Active substance -> EU Pesticides database: Not approved
Insecticides
Environmental transformation -> Pesticides (parent, predecessor)
LogP2.69
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H331-H410
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
- Hazard Codes
- T,N
- Risk Statements
- 23 · 23/25-50/53
- Safety Statements
- 37 · 37-38-45-60-61
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Regulation (EC) No 1107/2009 (amended)
2005/487
REACH registered substance: 1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole (EC: 411-650-3)
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
Safety data
- risk_code
- 23/25-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 37-38-45-60-61
- Hazard statements
- H301-H331-H410
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Insecticides
Suppliers15 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Additional notes
DefinitionChEBI: Triazamate is a triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a triazole insecticide, an aryl sulfide and an ethyl ester. It derives from a hydride of a 1H-1,2,4-triazole.
Related reactions
9 records
Compound notes
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