Basic information
- CAS
6324-85-2- Standard SMILES
CCOc1cc(C=NNC(N)=S)ccc1O- InChIKey
CFEVJBPVXXAVRL-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2S
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.07284784
Names & identifiers
- Preferred name
- Nsc31722
- IUPAC
- [(3-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
- English name
- AKOS B004189
- Molecular formula
- C10H13N3O2S
- Molecular weight
- 239.29
Names & synonyms
DTXSID70417929NSC31722RefChem:854887DTXCID003687786324-85-2AB00090669-01AKOS B004189ART-CHEM-BB B004189SALOR-INT L253014-1EASALOR-INT L393053-1EA3-ETHOXY-4-HYDROXYBENZALDEHYDE THIOSEMICARBAZONE
Database identifiers
- CAS
6324-85-2- PubChem CID
- 872579
- EC Number
- 688-878-7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H317-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H317-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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