6-Cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

HCID 39870841
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基本情報

CAS
1118787-11-3
標準SMILES
CSc1nc(C(=O)O)cc(C2CC2)n1
InChIKey
CTIULVWBXFFROZ-UHFFFAOYSA-N
分子式
C9H10N2O2S
平均分子量
210.26 g/mol
単同位体質量
210.04629874

名称と識別子

優先名称
6-Cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
IUPAC
6-cyclopropyl-2-methylsulfanylpyrimidine-4-carboxylic acid

名称と別名

6-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid1118787-11-3RefChem:542046877-990-36-cyclopropyl-2-methylsulfanylpyrimidine-4-carboxylic acidSCHEMBL9957334CTIULVWBXFFROZ-UHFFFAOYSA-NTUB78711AKOS023597855CCG-299959CS-0249031EN300-42246
名称をさらに表示
6-cyclopropyl-2-(methylthio)pyrimidine-4-carboxylic acidZ4257974826-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylicacid6-cyclopropyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid

データベース識別子

CAS
1118787-11-3
PubChem CID
39870841
EC Number
877-990-3

物性

構造計算による物性

XLogP
1.5
極性表面積
88.4 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
3
重原子数
14

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

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