4-Methylthiane-4-carbonitrile

HCID 67344978CAS 1626409-73-1

基本情報

標準SMILES: CC1(C#N)CCSCC1
InChIKey: SFMORNRBUKPHOS-UHFFFAOYSA-N
分子式: C7H11NS
平均分子量: 141.24 g/mol

名称と識別子

優先名称: 4-Methylthiane-4-carbonitrile
IUPAC: 4-methylthiane-4-carbonitrile

名称と別名

4-methylthiane-4-carbonitrile1626409-73-1RefChem:525723980-309-34-methyltetrahydro-2H-thiopyran-4-carbonitrileSCHEMBL2277233SFMORNRBUKPHOS-UHFFFAOYSA-N4-methyl-tetrahydro-thiopyran-4-carbonitrileEN300-1272158

データベース識別子

CAS: 1626409-73-1
PubChem CID: 67344978
EC Number: 980-309-3

物性

構造計算による物性

XLogP: 1.4
極性表面積: 49.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 138

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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