Basic information
- CAS
301202-66-4- Standard SMILES
CCNC(=S)N/N=C/c1ccc(OC)c(OC)c1- InChIKey
LCTMUTFSFVDACD-RIYZIHGNSA-N- Molecular formula
- C12H17N3O2S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.10414797
Names & identifiers
- Preferred name
- 3,4-Dimethoxybenzaldehyde N-ethylthiosemicarbazone
- IUPAC
- 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
- English name
- SALOR-INT L242055-1EA
- Molecular formula
- C12H17N3O2S
- Molecular weight
- 267.35
Names & synonyms
3,4-DIMETHOXYBENZALDEHYDE N-ETHYLTHIOSEMICARBAZONERefChem:486299301202-66-4647-227-7AKOS024408645SALOR-INT L242055-1EA
Database identifiers
- CAS
301202-66-4- PubChem CID
- 7728675
- EC Number
- 647-227-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 380.418 · 380.418±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.16 · 1.160±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.944 · 10.944±0.70(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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