3-Thiazolidineethanol, 2-imino-alpha-phenyl-, 4-methylbenzenesulfonate (1:1)

HCID 86659CAS 18126-02-8

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)O)cc1.N=C1SCCN1CC(O)c1ccccc1
InChIKey: MCTPEMSIZLTTCE-UHFFFAOYSA-N
分子式: C18H22N2O4S2
平均分子量: 394.5 g/mol

名称と識別子

優先名称: 3-Thiazolidineethanol, 2-imino-alpha-phenyl-, 4-methylbenzenesulfonate (1:1)
IUPAC: 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;4-methylbenzenesulfonic acid

名称と別名

EINECS 242-014-13-Thiazolidineethanol, 2-imino-2-phenyl-, 4-methylbenzenesulfonate3-Thiazolidineethanol, 2-imino-alpha-phenyl-, 4-methylbenzenesulfonate (1:1)3-Thiazolidineethanol, 2-imino-alpha-phenyl-, mono(4-methylbenzenesulfonate) (salt)RefChem:954693-Thiazolidineethanol, 2-imino-.alpha.-phenyl-, 4-methylbenzenesulfonate (1:1)18126-02-83-(2-Hydroxy-1-phenylethyl)-2-iminothiazolidine toluene-p-sulphonateSCHEMBL110991352-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;4-methylbenzenesulfonic acid3-(beta-hydroxyphenethyl)-2-iminothiazolidine p-toluene sulfonate

データベース識別子

CAS: 18126-02-8
PubChem CID: 86659
EC Number: 242-014-1

物性

構造計算による物性

極性表面積: 135 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 26
形式電荷: 0
複雑度: 435

化学と産業

用途と製造

General Manufacturing Information3-Thiazolidineethanol, 2-imino-.alpha.-phenyl-, 4-methylbenzenesulfonate (1:1): INACTIVE