Basic information
- CAS
5429-62-9- Standard SMILES
CCOC(=O)CSc1nc2ccccc2[nH]1- InChIKey
TZMSMSYMMHOSOE-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.06194862
Names & identifiers
- Preferred name
- ethyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
- IUPAC
- ethyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
- English name
- Ethyl=(1H-benzimidazol-2-ylthio)acetate
- Molecular formula
- C11H12N2O2S
- Molecular weight
- 236.294
Names & synonyms
ethyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetateEthyl 2-(1H-benzimidazol-2-ylthio)acetateRefChem:593621963-751-15429-62-9ethyl 2-(1H-benzimidazol-2-ylsulfanyl)acetateACETIC ACID, 2-BENZIMIDAZOLYLTHIO-, ETHYL ESTER2-Benzimidazolylthioacetic acid ethyl esterEthyl 2-((1H-benzo[d]imidazol-2-yl)thio)acetateEthyl=(1H-benzimidazol-2-ylthio)acetateAcetic acid, (1H-benzimidazol-2-ylthio)-, ethyl esterETHYL (1H-BENZIMIDAZOL-2-YLTHIO)ACETATE
Show more names
ethyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate2-(1H-benzimidazol-2-ylthio)acetic acid ethyl ester
2-(Carboethoxymethylmercapto)benzimidazoleMFCD00121550NSC-14189(1H-Benzoimidazol-2-ylsulfanyl)-acetic acid ethyl esterethyl 2-benzimidazol-2-ylthioacetateNSC 14189BRN 0203676Aclonifen Impurity 8
Database identifiers
- CAS
5429-62-9- PubChem CID
- 21564
- DTXSID
DTXSID00202648- UNII
- U6FUL7Q999
- EC Number
- 963-751-1
- Nikkaji
- J54.173G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- FDA UNII
- 6 FUL7Q999 · U6FUL7Q999
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
6 records
Compound notes
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