Basic information
- CAS
1956-45-2- Standard SMILES
CC(=NO)c1cccs1- InChIKey
HODHTVIKKXGOCP-UHFFFAOYSA-N- Molecular formula
- C6H7NOS
- Average molar mass
- 141.19 g/mol
- Monoisotopic mass
- 141.02483502
Overview
See also: 1-(2-Thienyl)ethanone oxime (annotation moved to).
Names & identifiers
- Preferred name
- ethanone, 1-(2-thienyl)-, oxime, (1Z)-
- IUPAC
- N-(1-thiophen-2-ylethylidene)hydroxylamine
- English name
- 1-Thiophen-2-yl-ethanone oxime
- Molecular formula
- C6H7NOS
- Molecular weight
- 141.19
Names & synonyms
1956-45-2ethanone, 1-(2-thienyl)-, oxime, (1Z)-N-(1-thiophen-2-ylethylidene)hydroxylamineN-[1-(thiophen-2-yl)ethylidene]hydroxylamine92313-45-6methyl thienyl ketone oxime(E)-N-[1-(THIOPHEN-2-YL)ETHYLIDENE]HYDROXYLAMINESCHEMBL29075431-(thiophen-2-yl)ethanone oximeDTXSID80941341HODHTVIKKXGOCP-UHFFFAOYSA-NAKOS017263164
Show more names
AI3-61792NSC 16234AURORA 15194EINECS 217-800-22-acetylthiophene oxime1-(2-thienyl)ethanone oximeMethyl(2-thienyl) ketoneoximeMethyl 2-thienyl ketone oxime1-(THIEN-2YL)ETHAN-1-ONE OXIME1-Thiophen-2-yl-ethanone oxime
DB-015307NS00046027H81035
Database identifiers
- CAS
1956-45-2- PubChem CID
- 16061
- DTXSID
DTXSID80941341
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 113 °C · 113 °C
- Boiling point
- 258.1 · 258.1±13.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 11.33 · 11.33±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers4 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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