42008-54-8 ((1-hydroxythiourea)

快速询单

结构式：

1-hydroxythioureaMOL文件

CAS号：

42008-54-8

英文名称：

1-hydroxythiourea

分子式：

CH₄N₂OS

分子量：

92.1202583312988

1-hydroxythiourea(42008-54-8)名称与标识符

名称

英文别名：

1-hydroxythiourea;hydroxythiourea;AC1MHXVY;CTK1D7556;N-Hydroxythioharnstoff;N-Hydroxythiourea;NSC243044;Thiourea, hydroxy-;CHEMBL3274945;UNII-O21FQ912EM;AKOS006350442;NSC-243044;DTXSID20194814;O21FQ912EM;42008-54-8;hydroxy thiourea;NSC 243044;

标识符

InChIKey：

QFUVRXBMUCPEMV-UHFFFAOYSA-N

Inchi：

1S/CH4N2OS/c2-1(5)3-4/h4H,(H3,2,3,5)

SMILES：

S=C(N)NO

1-hydroxythiourea(42008-54-8)物化性质

实验特性

PSA : 58.28

计算特性

精确分子量 : 92.00452
氢键供体数量 : 3
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 92.00443393g/mol
重原子数量 : 5
复杂度 : 44.9
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.9
拓扑分子极性表面积 : 90.4Å²

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