基本情報
- CAS
105431-82-1- 標準SMILES
CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
BPHPUYQFMNQIOC-NXRLNHOXSA-N- 分子式
- C9H18O5S
- 平均分子量
- 238.3 g/mol
概要
Isopropyl beta-D-thiogalactopyranoside is an S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur.
名称と識別子
- 優先名称
- isopropyl beta-D-thiogalactopyranoside
- IUPAC
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
- 英語名
- 1,3-Butanediol, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatobenzene] and 2,2'-oxybis[ethanol]
- 分子式
- C9H18O5S
- 分子量
- 238.30122
名称と別名
IPTG367-93-1Isopropyl-beta-D-thiogalactopyranosideIsopropyl beta-D-thiogalactopyranosideISOPROPYL THIOGALACTOSIDEIsopropyl-beta-D-thiogalactosideIsopropyl beta-D-1-thiogalactopyranosideIsopropyl beta-D-thiogalactosideIsopropyl 1-Thio-beta-D-galactopyranosideDTXSID6041052X73VV2246B(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
名称をさらに表示
1,3-Butanediol, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatobenzene] and 2,2'-oxybis[ethanol]
CHEBI:61448beta-D-Galactopyranoside, 1-methylethyl 1-thio-(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyl-oxane-3,4,5-triolThiogalactoside, Isopropylisopropyl beta-thiogalactosideIsopropyl 1 Thio beta D galactopyranoside1-Thio-beta-D-galactopyranoside, IsopropylRefChem:389084
データベース識別子
- CAS
105431-82-1
物性
構造計算による物性
- XLogP
- -0.5
- 極性表面積
- 115 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 201
実験および物理化学的性質
Chemical ClassesOther Uses -> Biochemical Research
DrugsPharmaceuticals -> Listed in ZINC15
LogP-1.26
Physical DescriptionWhite solid with an odor of sulfur; [Promega MSDS]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 81% (115 of 142) of all reports.
Warning
H302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 142 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Isopropyl thiogalactoside: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; Harmful by ingestion; May cause liver and kidney injury; [Promega MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (12%)
化学と産業
用途と製造
UsesUsed to induce protein synthesis and to detect lac gene activity; [Merck Index]
General Manufacturing Information.beta.-D-Galactopyranoside, 1-methylethyl 1-thio-: ACTIVE
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