7-methyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

HCID 135439636

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Grundinformationen

CAS: 175137-13-0
Standard-SMILES: Cc1csc2c(=O)[nH]cnc12
InChIKey: KJTYNZWEAIRZHT-UHFFFAOYSA-N
Summenformel: C7H6N2OS
Durchschnittliche Molmasse: 166,2 g/mol
Monoisotopische Masse: 166,02008399

Überblick

7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one is an organic heterobicyclic compound, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

Namen und Bezeichner

Bevorzugter Name: 7-methyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
IUPAC: 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one
Englischer Name: 7-METHYL-3,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-4-ONE
Summenformel: C7H6N2OS
Molmasse: 166.2

Namen und Synonyme

7-methylthieno[3,2-d]pyrimidin-4(3H)-one7-methyl-3H,4H-thieno[3,2-d]pyrimidin-4-one7-Methylthieno(3,2-d)pyrimidin-4(3H)-one7-methyl-3H,4H-thieno(3,2-d)pyrimidin-4-oneRefChem:546830841-777-3175137-13-07-methylthieno[3,2-d]pyrimidin-4-ol7-Methylthieno[3,2-d]pyrimidin-4(1H)-one7-methyl-3H-thieno[3,2-d]pyrimidin-4-one4-Hydroxy-7-methylthieno[3,2-d]pyrimidine7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one

Weitere Namen anzeigen

3-METHYLTHIENO(3,2-D)PYRIMIDIN-7(6H)-ONE7-methyl-3H-thieno[3,2-d]pyrimidin-4-one - [M83635]

MFCD13181517Thieno[3,2-d]pyrimidin-4(3H)-one, 7-methyl-SCHEMBL358129CHEMBL1877245AKOS015842602EN300-170312Z11981520247-methyl-3-hydrothiopheno[3,2-d]pyrimidin-4-one

Datenbank-Bezeichner

CAS: 175137-13-0
PubChem CID: 135439636
DTXSID: DTXSID801274977
ChEMBL: CHEMBL1877245
ChEBI: CHEBI:194933
EC Number: 841-777-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 69,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 216

Physikochemische Eigenschaften

Siedepunkt: 403.9 · 403.9±33.0 °C(Predicted)
Dichte: 1.53 · 1.53±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.38 · 11.38±0.20(Predicted)

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.