2-Thiophenecarbaldehyde N-ethylthiosemicarbazone
Basic information
- CAS
1434-97-5- Standard SMILES
CCNC(=S)N/N=C/c1cccs1- InChIKey
ZAHRLVBYQPAUMY-UXBLZVDNSA-N- Molecular formula
- C8H11N3S2
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.03943971
Overview
1-ethyl-3-(thiophen-2-ylmethylideneamino)thiourea is a hydrazone.
Names & identifiers
- Preferred name
- 2-Thiophenecarbaldehyde N-ethylthiosemicarbazone
- IUPAC
- 1-ethyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea
Names & synonyms
2-THIOPHENECARBALDEHYDE N-ETHYLTHIOSEMICARBAZONE1434-97-5RefChem:483764647-669-01-ethyl-3-[(E)-thiophen-2-ylmethylideneamino]thioureaSMR000150250MLS000570222CHEMBL3208579CHEBI:122054AKOS001061016SR-01000044854SR-01000044854-1
Show more names
Z44865745
Database identifiers
- CAS
1434-97-5- PubChem CID
- 6905901
- ChEMBL
CHEMBL3208579- ChEBI
CHEBI:122054- EC Number
- 647-669-0
- Nikkaji
- J2.636.014E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
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]
P264, P270, P301+P317, P330, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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