Name: Name:(5E)-2-Mercapto-5-(3-methoxybenzylidene)-1,3-thiazol-4(5h)-one
Brand: AABLOCKS
SKU: AA004ZNM
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA004ZNM

Chemical Name: (5E)-2-Mercapto-5-(3-methoxybenzylidene)-1,3-thiazol-4(5h)-one

CAS Number: 81154-02-1

Molecular Formula: C11H9NO2S2

Molecular Weight: 251.3247

MDL Number: MFCD04969031

SMILES: COc1cccc(c1)/C=C\1/SC(=NC1=O)S

Properties

Storage: Keep in dry area;2-8℃;

Complexity: 341

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 1

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.8

Downstream Synthesis Route

141-84-4

591-31-1

81154-02-1

[1]Ionescu,MihaelaIleana;Oniga,Ovidiu[Molecules,2018,vol.23,#5]

[2]Xu,Jian-Fei;Wang,Tian-Tian;Yuan,Qing;Duan,Yong-Tao;Xu,Yun-Jie;Lv,Peng-Cheng;Wang,Xiao-Ming;Yang,Yu-Shun;Zhu,Hai-Liang[BioorganicandMedicinalChemistry,2019,vol.27,#8,p.1509-1516]

81154-02-1

70-11-1

(E)-5-(3-methoxybenzylidene)-3-(2-oxo-2-phenylethyl)-2-thioxothiazolidin-4-one

[1]Xu,Jian-Fei;Wang,Tian-Tian;Yuan,Qing;Duan,Yong-Tao;Xu,Yun-Jie;Lv,Peng-Cheng;Wang,Xiao-Ming;Yang,Yu-Shun;Zhu,Hai-Liang[BioorganicandMedicinalChemistry,2019,vol.27,#8,p.1509-1516]

81154-02-1 | (5E)-2-Mercapto-5-(3-methoxybenzylidene)-1,3-thiazol-4(5h)-one