2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one

HCID 3603393CAS 117516-97-9

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Grundinformationen

Standard-SMILES: O=c1[nH]c(=S)[nH]c2sccc12
InChIKey: SJFBCDCLMGDIRN-UHFFFAOYSA-N
Summenformel: C6H4N2OS2
Durchschnittliche Molmasse: 184,2 g/mol
Monoisotopische Masse: 183,9765051

Namen und Bezeichner

Bevorzugter Name: 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
IUPAC: 2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Englischer Name: 2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Summenformel: C6H4N2OS2
Molmasse: 184.24

Namen und Synonyme

2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-oneRefChem:483548855-756-1117516-97-92-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one2-Thioxo-2,3-2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one2-sulfanylthieno[2,3-d]pyrimidin-4-ol2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-onedihydrothieno[2,3-d]pyrimidin-4(1H)-oneMFCD12406128

Weitere Namen anzeigen

2-Thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-on2,3-Dihydro-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-oneThieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-2-thioxo-

2-Thioxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-oneMFCD03011932A1IR5MLS0007609352-sulfanylidene-1H,3H-thieno[2,3-d]pyrimidin-4-oneF9995-0135SCHEMBL3233768CHEMBL1462635

Datenbank-Bezeichner

CAS: 117516-97-9
PubChem CID: 3603393
DTXSID: DTXSID90394066
ChEMBL: CHEMBL1462635
EC Number: 855-756-1
Nikkaji: J2.961.036C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 101 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Dichte: 1.65 · 1.65
storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, 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.