2-((2-Methylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide
Basic information
- CAS
28743-95-5- Standard SMILES
Cc1ccccc1OCC(=O)NNC(=S)Nc1ccccc1- InChIKey
FNUWAPZBHWSEAC-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.10414797
Names & identifiers
- Preferred name
- 2-((2-Methylphenoxy)acetyl)-N-phenylhydrazinecarbothioamide
- IUPAC
- 1-[[2-(2-methylphenoxy)acetyl]amino]-3-phenylthiourea
- English name
- 2-(2-methylphenoxy)-N-[(phenylcarbamothioyl)amino]acetamide
- Molecular formula
- C16H17N3O2S
- Molecular weight
- 315.39008
Names & synonyms
2-((2-METHYLPHENOXY)ACETYL)-N-PHENYLHYDRAZINECARBOTHIOAMIDE28743-95-5RefChem:447840657-325-1ZINC00065334AKOS001025807ST012394Z330991192-(2-methylphenoxy)-N-{[(phenylamino)thioxomethyl]amino}acetamide2-(2-methylphenoxy)-N-[(phenylcarbamothioyl)amino]acetamide
Database identifiers
- CAS
28743-95-5- PubChem CID
- 693369
- EC Number
- 657-325-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H400-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P273-P391-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H302-H315-H318-H400-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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