CAS 34772-98-0 3-(Dimethylamino)-1-(2-thienyl)-2-propen-1-one (HCID 602399)

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Basic information

CAS: 34772-98-0
Standard SMILES: CN(C)C=CC(=O)c1cccs1
InChIKey: NXYSVZGMDFMOJJ-UHFFFAOYSA-N
Molecular formula: C9H11NOS
Average molar mass: 181.26 g/mol
Monoisotopic mass: 181.05613497

Names & identifiers

Preferred name: 3-(Dimethylamino)-1-(2-thienyl)-2-propen-1-one
IUPAC: 3-(dimethylamino)-1-thiophen-2-ylprop-2-en-1-one
English name: (E)-3-Dimethylamino-1-thiophen-2-yl-propenone
Molecular formula: C9H11NOS
Molecular weight: 181.25

Names & synonyms

3-(dimethylamino)-1-(2-thienyl)-2-propen-1-one(2E)-3-(dimethylamino)-1-(2-thienyl)prop-2-en-1-one3-(DIMETHYLAMINO)-1-(2-THIENYL)PROP-2-EN-1-ONE(Z)-3-(dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-oneSCHEMBL2051426NXYSVZGMDFMOJJ-UHFFFAOYSA-NDTXSID501245616265103-28-4AKOS017382236AB04301SY5286173-(dimethylamino)-1-(2-thienyl)-propene-1-one

Show more names

INDIP-002(E)-3-Dimethylamino-1-thiophen-2-yl-propenone3-(Dimethylamino)-1-thien-2-ylprop-2-en-1-one1-(2-Thienyl)-3-(dimethylamino)-2-propen-1-one3-(diMethylaMino)-1-(thiophen-2-yl)prop-2-en-1-one

3-dimethylamino-1-(2-thienyl)-2-propen-1-one3-dimethylamino-1-(2-thienyl)-2-propene-1-oneF869864

Database identifiers

CAS: 34772-98-0
PubChem CID: 602399
DTXSID

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 48.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 189

Physicochemical properties

Melting point: 197 · 197-198℃ (1,4-dioxane )
storage temp.: 2 · 2-8°C
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2921290090 · 2921290090