1-Thia-4-azaspiro[4.5]decan-3-one 1-硫-4-氮杂螺环并[4.5]癸烷-3-酮

CAS 4580-63-6 MFCD00101403

化学结构图

4580-63-6
SMILES: O=C1CSC2(CCCCC2)N1

化学属性

Mol. Weight171.26
Mol. FormulaC8H13NOS
Melting Point182 °C
Boiling Point393.2±35.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-Thia-4-azaspiro[4.5]decan-3-one
CAS Number4580-63-6
Alfabeta NameTHIAAZASPIRODECANONE 14453.[]-----
MDL NumberMFCD00101403
Chemical Name Translation1-硫-4-氮杂螺环并[4.5]癸烷-3-酮
LabNetwork Molecule IDLN00157368
Synonym 1-Thia-4-azaspiro[4.5]Decan-3-one {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Thia-4-azaspiro[4.5]Decan-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESO=C1CSC2(N1)CCCCC2
PubChem Substance ID2738069
InChIInChI=1S/C8H13NOS/c10-7-6-11-8(9-7)4-2-1-3-5-8/h1-6H2,(H,9,10)
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
1
Rotatable Bonds
0
LogP
1

系列性分类

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