2-(Methylsulfanyl)pyrimidine

2-(methylthyo)pyrimidine · Pyrimidine, 2-(methylthio) · 2-Methylsulfanylpyrimidine · 2-Methylmercaptopyrimidine · Methyl 2-pyrimidinyl sulfide · 2-(Methylsulphanyl)pyrimidine · 2-(Methylsulphanyl)pyrimidine 97% · Pyrimidine, 2-(methylthio)- (6CI,7CI,8CI,9CI)

https://huagongshe.com/de/chemical/522772

Molekülstruktur von 2-(Methylsulfanyl)pyrimidine

Identifikatoren & physikalische Daten

CAS No.	823-09-6
Summenformel	C5H6N2S
Durchschnittliche Molmasse	126,18 g/mol
Monoisotopische Masse	126,02516919 g/mol
SMILES	CSc1ncccn1
InChIKey	FOEMIZSFFWGXHX-UHFFFAOYSA-N
PubChem CID	522772
EC No.	993-235-1
DTXSID	DTXSID80878784

Chemische & physikalische Eigenschaften

XLogP	1
Polarare Oberfläche (TPSA)	51,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	8
Formalladung	0
Komplexität	61,4
LogP (Verteilungskoeffizient)	1.01
Siedepunkt	216℃
Dichte	1.19
Flammpunkt	84℃
Aggregatzustand	liquid
Farbe	Orange
InChI	1S/C5H6N2S/c1-8-5-6-3-2-4-7-5/h2-4H,1H3
InChIKey	FOEMIZSFFWGXHX-UHFFFAOYSA-N
SMILES	CSC1=NC=CC=N1
CAS Datenbank	823-09-6

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	29335990
R-Sätze (R)	36-36/37/38
Sicherheitshinweise (S)	26-36/37/39
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2