107314-69-2
4,5-二-(2-羟基-乙基硫烷基)-[1,3]二噻唑-2-硫酮
Name
4,5-二-(2-羟基-乙基硫烷基)-[1,3]二噻唑-2-硫酮
pro_formula
C27 H32 N4 O . 3 Cl H . H2 O
pro_molWeight
555.974
1Identification
【Name】
4,5-二-(2-羟基-乙基硫烷基)-[1,3]二噻唑-2-硫酮
【CAS】
【MDL】
MFCD01756392
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H32 N4 O . 3 Cl H . H2 O
【pro_molWeight】
555.974
【Inchi】
InChI=1S/C27H32N4O.3ClH.H2O/c1-28-24-13-8-14-25(21-24)29-26(32)15-16-30-17-19-31(20-18-30)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23;;;;/h2-14,21,27-28H,15-20H2,1H3,(H,29,32);3*1H;1H2
【InChIKey】
InChIKey=NEMDLKFIKKBXNS-UHFFFAOYSA-N
【SMILES】
CNc1cccc(c1)NC(=O)CCN2CCN(CC2)C(c3ccccc3)c4ccccc4.O.Cl.Cl.Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4,5-二-(2-羟基-乙基硫烷基)-[1,3]二噻唑-2-硫酮.cml
quick_release
3-CHLORO-6-(METHYLAMINO)-N-(2-METHYLCYCLOHEXYL)PYRIDINE-2-CARBOXAMIDE
2-(ETHYLAMINO)-N-(2-METHYLCYCLOHEXYL)BENZAMIDE
N-(1-AZABICYCLO[2.2.2]OCTAN-3-YL)-6-(METHYLAMINO)PYRIDINE-3-CARBOXAMIDE
4-(METHYLAMINO)-N-[2-(THIOPHEN-2-YL)ETHYL]PYRIDINE-2-CARBOXAMIDE
6-(METHYLAMINO)-N-[2-(THIOPHEN-2-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE
2-(METHYLAMINO)-N-[2-(THIOPHEN-2-YL)ETHYL]PYRIDINE-4-CARBOXAMIDE
SuppliersList
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N-(1-AZABICYCLO[2.2.2]OCTAN-3-YL)-6-(METHYLAMINO)PYRIDINE-3-CARBOXAMIDE
4-(METHYLAMINO)-N-[2-(THIOPHEN-2-YL)ETHYL]PYRIDINE-2-CARBOXAMIDE
6-(METHYLAMINO)-N-[2-(THIOPHEN-2-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE
2-(METHYLAMINO)-N-[2-(THIOPHEN-2-YL)ETHYL]PYRIDINE-4-CARBOXAMIDE