3-(2-Thienyl)-1,2-dihydroquinoxalin-2-one

HCID 723698

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Basic information

CAS: 64532-10-1
Standard SMILES: O=c1[nH]c2ccccc2nc1-c1cccs1
InChIKey: PWIKCZVHLJFOFW-UHFFFAOYSA-N
Molecular formula: C12H8N2OS
Average molar mass: 228.27 g/mol
Monoisotopic mass: 228.03573388

Names & identifiers

Preferred name: 3-(2-Thienyl)-1,2-dihydroquinoxalin-2-one
IUPAC: 3-thiophen-2-yl-1H-quinoxalin-2-one
English name: 3-(2-Thienyl)-2(1H)-quinoxalinone, 97%
Molecular formula: C12H8N2OS
Molecular weight: 228.27

Names & synonyms

64532-10-13-(2-thienyl)-1,2-dihydroquinoxalin-2-oneDTXSID20352351RefChem:273947DTXCID903034163-(Thiophen-2-yl)quinoxalin-2(1H)-one2(1H)-Quinoxalinone, 3-(2-thienyl)-3-thiophen-2-yl-1H-quinoxalin-2-one3-(2-Thienyl)-2(1H)-quinoxalinone3-(thiophen-2-yl)-1,2-dihydroquinoxalin-2-oneMLS0000537453-(Thiophen-2-yl)quinoxalin-2-ol

Show more names

3-(2-Thienyl)-2(1H)-quinoxalinone, 97%

MFCD006634033-(2-thienyl)-1H-quinoxalin-2-oneSMR000068248HMS1443J08Maybridge3_004430SCHEMBL578070SCHEMBL578071cid_723698

Database identifiers

CAS: 64532-10-1
PubChem CID: 723698
DTXSID: DTXSID20352351
ChEMBL: CHEMBL1320709
Nikkaji: J3.388.141J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 329

Physicochemical properties

Melting point: 261 · 261-262 °C(Solv: 1,4-dioxane (123-91-1))
Density: 1.41 · 1.41±0.1 g/cm3(Predicted)
pka: 9.41 · 9.41±0.10(Predicted)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS02
Hazard statements: H225
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235