Basic information
- CAS
6041-28-7- Standard SMILES
N#CC=Cc1cccs1- InChIKey
CONLQGNBFRQUBX-UHFFFAOYSA-N- Molecular formula
- C7H5NS
- Average molar mass
- 135.19 g/mol
- Monoisotopic mass
- 135.01427034
Names & identifiers
- Preferred name
- 3-(2-Thienyl)-2-propenenitrile
- IUPAC
- 3-thiophen-2-ylprop-2-enenitrile
- English name
- 3-(Thien-2-yl)acrylonitrile 97
- Molecular formula
- C7H5NS
- Molecular weight
- 135.1863
Names & synonyms
3-(2-Thienyl)-2-propenenitrileDTXSID601306598RefChem:491337DTXCID501736556SCHEMBL5220052-THIOPHENEACRYLONITRILESCHEMBL4058618beta-(Thien-2-yl) acrylonitrileCONLQGNBFRQUBX-UHFFFAOYSA-Nbeta-(thien-2 -yl) acrylonitrileAKOS0302398343-(THIOPHEN-2-YL)PROP-2-ENENITRILE
Show more names
3-(2-thienyl)acrylonitrile3-(Thien-2-yl)acrylonitrile3-(2-Thienyl)propenenitrile3-(thiophen-2-yl)acrylonitrile3-(Thien-2-yl)acrylonitrile 972-Propenenitrile, 3-(2-thienyl)-(2E)-3-(thiophen-2-yl)prop-2-enenitrile3-(THIEN-2-YL)ACRYLONITRILE, (CIS/TRANS ISOMERS)
Database identifiers
- CAS
6041-28-7- PubChem CID
- 111140
- DTXSID
DTXSID601306598
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 106 · 106-109/0.5mm
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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)
- GHS07,GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H318-H315-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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