2-(Methylsulfanyl)pyrimidine

HCID 522772
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Basic information

CAS
823-09-6
Standard SMILES
CSc1ncccn1
InChIKey
FOEMIZSFFWGXHX-UHFFFAOYSA-N
Molecular formula
C5H6N2S
Average molar mass
126.18 g/mol
Monoisotopic mass
126.02516919

Names & identifiers

Preferred name
2-(Methylsulfanyl)pyrimidine
IUPAC
2-methylsulfanylpyrimidine
English name
2-(Methylthio)pyrimidine
Molecular formula
C5H6N2S
Molecular weight
126.18

Names & synonyms

2-(methylsulfanyl)pyrimidineRefChem:461384993-235-12-(Methylthio)pyrimidine823-09-62-Methylthiopyrimidine2-methylsulfanylpyrimidineMFCD09025802Pyrimidine, 2-(methylthio)- (6CI,7CI,8CI,9CI)Pyrimidine, 2-(methylthio)-2-(Methylsulphanyl)pyrimidinePyrimidine, 2-(methylthio)-,
Show more names
2-(methylthyo)pyrimidinePyrimidine, 2-(methylthio)2-MethylmercaptopyrimidineMethyl 2-pyrimidinyl sulfide2-(Methylsulphanyl)pyrimidine 97%2-(Methylsulphanyl)pyrimidine, 2-(Methylthio)-1,3-diazinePyrimidine, 2-(methylthio)- (6CI,7CI,8CI,9CI) ISO 9001：2015 REACH
methyl thiopyrimidinemethylsulfanyl-pyrimidinepyrimidine, 2-methylthio-SCHEMBL67391SCHEMBL461473SCHEMBL787909SCHEMBL1145219SCHEMBL20798300

Database identifiers

CAS
823-09-6
PubChem CID
522772
DTXSID
DTXSID80878784
EC Number
993-235-1
Nikkaji
J147.984I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
51.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
8

Experimental & physicochemical properties

LogP1.01

Physicochemical properties

Boiling point
216 ℃ · 216℃
Density
1.19 · 1.19
Flash point
84 ℃ · 84℃
form
liquid
color
Orange
InChI
1S/C5H6N2S/c1-8-5-6-3-2-4-7-5/h2-4H,1H3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (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 information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
WGK 3
hs_code
29335990
risk_code
36-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers37 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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