Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(tricyclo(3.3.1.13,7)dec-1-yloxy)ethyl)amino)ethyl) ester

HCID 64277CAS 30771-84-7

基本信息

标准SMILES: NC(CSS(=O)(=O)O)=NCCOC12CC3CC(CC(C3)C1)C2
InChIKey: RJBKFTRMYQORAZ-UHFFFAOYSA-N
分子式: C14H24N2O4S2
平均分子量: 348.5 g/mol
单同位素质量: 348.11774925

名称与标识

首选名称: Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(tricyclo(3.3.1.13,7)dec-1-yloxy)ethyl)amino)ethyl) ester
IUPAC: 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethoxy]adamantane
英文名: Thiosulfuric acid hydrogen S-[2-[2-[(adamantan-1-yl)oxy]ethylamino]-2-iminoethyl] ester
分子式: C14H24N2O4S2
分子量: 348.48

名称与别名

WR 145040BRN 399758330771-84-7Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(tricyclo(3.3.1.13,7)dec-1-yloxy)ethyl)amino)ethyl) esterDTXSID50184788S-((N-(2-(1-Adamantyloxy)ethyl)amidino)methyl) hydrogen thiosulfateThiosulfuric acid, S-ester with N-(2-(1-adamantyloxy)ethyl)-2-mercaptoacetamidineRefChem:385381DTXCID90107279S-[(2Z)-2-({2-[(Adamantan-1-yl)oxy]ethyl}imino)-2-aminoethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[2-[(adamantan-1-yl)oxy]ethylamino]-2-iminoethyl] esterThiosulfuric acid (H2S2O3), S-[2-imino-2-[[2-(tricyclo[3.3.1.13,7]dec-1-yloxy)ethyl]amino]ethyl] ester

数据库标识

CAS: 30771-84-7
PubChem CID: 64277
DTXSID: DTXSID50184788
Nikkaji: J41.688F

性质

结构计算性质

XLogP: 1.1
极性表面积: 136 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 7
重原子: 22
形式电荷: 0
复杂度: 500

物理化学性质

密度: 1.599 · 1.599±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
酸度系数(pKa): -4.69 · -4.690±0.30(predicted)

关联笔记

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