Basic information
- CAS
119024-27-0- Standard SMILES
NC(=S)COc1cc(Cl)cc(Cl)c1- InChIKey
GXSDTIDTCPOGAD-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NOS
- Average molar mass
- 236.12 g/mol
- Monoisotopic mass
- 234.9625402
Names & identifiers
- Preferred name
- 2-(3,5-Dichlorophenoxy)ethanethioamide
- IUPAC
- 2-(3,5-dichlorophenoxy)ethanethioamide
- English name
- 2-(3,5-Dichlorophenoxy)ethanethioamide
- Molecular formula
- C8H7Cl2NOS
- Molecular weight
- 236.12
Names & synonyms
2-(3,5-dichlorophenoxy)ethanethioamide119024-27-0DTXSID00372491RefChem:251266DTXCID40323523Ethanethioamide, 2-(3,5-dichlorophenoxy)-2-(3,5-Dichlorophenoxy)thioacetamideMFCD00052480HMS1669G08SCHEMBL7846467CHEMBL45469543,5-dichlorophenoxy thioacetamide
Show more names
2-(3,5-Chlorophenoxy)thioacetamide, 97%
GXSDTIDTCPOGAD-UHFFFAOYSA-N(3,5-Dichlorophenoxy)ethanethioamideAKOS009825197CCG-255342AS-65240
Database identifiers
- CAS
119024-27-0- PubChem CID
- 2743554
- DTXSID
DTXSID00372491- ChEMBL
CHEMBL4546954- EC Number
- 678-804-1
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 180 · 180-182°C
- Boiling point
- 370.6 · 370.6±52.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 12.45 · 12.45±0.29(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers3 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
1 records
Compound notes
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