1H,2H,4H-thieno(3,2-d)(1,3)oxazine-2,4-dione

HCID 2777552CAS 78756-28-2

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Grundinformationen

Standard-SMILES: O=c1[nH]c2ccsc2c(=O)o1
InChIKey: QHTTXSWWWSYDRY-UHFFFAOYSA-N
Summenformel: C6H3NO3S
Durchschnittliche Molmasse: 169,16 g/mol
Monoisotopische Masse: 168,98336396

Namen und Bezeichner

Bevorzugter Name: 1H,2H,4H-thieno(3,2-d)(1,3)oxazine-2,4-dione
IUPAC: 1H-thieno[3,2-d][1,3]oxazine-2,4-dione
Englischer Name: 1,4-Dihydro-2H-thieno[3,2-d][1,3]oxazine-2,4-dione
Summenformel: C6H3NO3S
Molmasse: 169.1597

Namen und Synonyme

1H,2H,4H-thieno[3,2-d][1,3]oxazine-2,4-dione1H,2H,4H-thieno(3,2-d)(1,3)oxazine-2,4-dioneRefChem:437726822-474-578756-28-21H-thieno[3,2-d][1,3]oxazine-2,4-dione2H-Thieno[3,2-d][1,3]oxazine-2,4(1H)-dione1,4-Dihydro-2H-thieno[3,2-d][1,3]oxazine-2,4-dioneMFCD001066481H-Thieno(3,2-d)(1,3)oxazine-2,4-dione2H-thieno[3,2-d][1,3]oxazine-2,4[1H)-dione2H-thieno[3,2-d][1,3]oxazine-2,4[1H]-dione

Weitere Namen anzeigen

1H-thieno[3,2-d][1,3]oxazin-2,4-dione1H-thiophenebenzo[3,2-d][1,3]azine-2,4-dione1,4-Dihydro-2,4-dioxo-2H-thieno[3,2-d][1,3]oxazine

SCHEMBL1285397DTXSID80380559QHTTXSWWWSYDRY-UHFFFAOYSA-NDDA75628SBB088268AKOS005145576FD10549PS-4346

Datenbank-Bezeichner

CAS: 78756-28-2
PubChem CID: 2777552
DTXSID: DTXSID80380559
EC Number: 822-474-5
Nikkaji: J996.009K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 83,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

storage temp.: Keep in dark place,Inert atmosphere,Room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.