alpha-Oxothiophen-2-acetonitrile
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Basic information
- CAS
6007-78-9- Standard SMILES
N#CC(=O)c1cccs1- InChIKey
IAKIUSDGUNAGEL-UHFFFAOYSA-N- Molecular formula
- C6H3NOS
- Average molar mass
- 137.16 g/mol
- Monoisotopic mass
- 136.99353489
Names & identifiers
- Preferred name
- alpha-Oxothiophen-2-acetonitrile
- IUPAC
- thiophene-2-carbonyl cyanide
- English name
- alpha-oxothiophen-2-acetonitrile
- Molecular formula
- C6H3NOS
- Molecular weight
- 137.15912
Names & synonyms
thiophene-2-carbonyl cyanide6007-78-9alpha-Oxothiophen-2-acetonitrile2-oxo-2-(2-thienyl)acetonitrileOxo(thien-2-yl)acetonitrileEINECS 227-860-12-Thiopheneacetonitrile,a-oxo-c-(2-thenoyl)formonitrileSCHEMBL3237221thiophene carboxylic acid cyanideDTXSID50208796IAKIUSDGUNAGEL-UHFFFAOYSA-N
Show more names
2-Thienylcarbonyl cyanideα-Oxo-2-thiopheneacetonitrile2-Thiopheneacetonitrile, α-oxo-
2-oxo-2-(2-thienyl)ethanenitrileSBB055752AKOS022299869TS-01769NS00034296G61796
Database identifiers
- CAS
6007-78-9- PubChem CID
- 80107
- DTXSID
DTXSID50208796- EC Number
- 227-860-1
- Nikkaji
- J223.946I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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