Basic information
- CAS
303061-91-8- Standard SMILES
CCOC(=O)NC(NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl- InChIKey
KSUZFVDURMEBRW-UHFFFAOYSA-N- Molecular formula
- C14H18Cl3N3O3S
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 413.013446
Names & identifiers
- Preferred name
- Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate
- IUPAC
- ethyl N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]carbamate
- English name
- ethyl N-(2,2,2-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)carbamate
- Molecular formula
- C14H18Cl3N3O3S
- Molecular weight
- 414.73
Names & synonyms
303061-91-8ETHYL 2,2,2-TRICHLORO-1-(((4-ETHOXYANILINO)CARBOTHIOYL)AMINO)ETHYLCARBAMATERefChem:593398661-887-3ethyl [2,2,2-trichloro-1-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)ethyl]carbamateSMR000194269CBMicro_046587MLS000572308CHEMBL1517527HMS2524E04AKOS002686607ethyl N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]carbamate
Show more names
ethyl N-(2,2,2-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)carbamateCarbamic acid, [2,2,2-trichloro-1-[[[(4-ethoxyphenyl)amino]thioxomethyl]amino]ethyl]-, ethyl ester (9CI)
BIM-0046595.P001
Database identifiers
- CAS
303061-91-8- PubChem CID
- 2887254
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H413-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H413-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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