Pyrimidin-1-thiol

2-Mercaptopyrimidine

HCID 1550489

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Grundinformationen

CAS: 1450-85-7
Standard-SMILES: S=c1nccc[nH]1
InChIKey: HBCQSNAFLVXVAY-UHFFFAOYSA-N
Summenformel: C4H4N2S
Durchschnittliche Molmasse: 112,16 g/mol
Monoisotopische Masse: 112,00951931

Namen und Bezeichner

Bevorzugter Name: 2-Mercaptopyrimidine
IUPAC: 1H-pyrimidine-2-thione
Lokaler Name: Pyrimidin-1-thiol
Englischer Name: pyrimidine-1-thiol
Summenformel: C4H6N2S
Molmasse: 114.16884

Namen und Synonyme

2-Mercaptopyrimidine1450-85-7Pyrimidine-2-thiol2-ThiopyrimidineDTXSID6049220CHEBI:53576NSC-48073NSC-193522T72Z5M7P5TDTXCID80290762-mercapto pyrimidineRefChem:870945

Weitere Namen anzeigen

pyrimidine-1-thiol

215-917-32-PyrimidinethiolPyrimidine-2(1H)-thione2(1H)-Pyrimidinethione131242-36-91H-pyrimidine-2-thionePyrimidinethione2-Pyrimidinethione

Datenbank-Bezeichner

CAS: 1450-85-7、53745-18-9
PubChem CID: 1550489
DTXSID: DTXSID6049220
ChEMBL: CHEMBL1688952
ChEBI: CHEBI:53576
UNII: T72Z5M7P5T
EC Number: 215-917-3、258-741-2
Nikkaji: J208.747B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,1
Polarare Oberfläche (TPSA): 56,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 137

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.