Cas no 52020-11-8 (2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (Z)-)

2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (Z)- structure
52020-11-8 structure
Product Name:2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (Z)-
CAS No:52020-11-8
MF:C11H15N5OS
MW:265.334699869156
CID:360844
Update Time:2024-01-28

2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (Z)-
    • 2-METHYLTHIO-CIS-ZEATIN
    • 2-METHYLTHIO-cis-ZEATIN (2MeScZ)
    • 2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-9H-purin-6-yl]amino]-, (2Z)-
    • Inchi： 1S/C11H15N5OS/c1-7(5-17)3-4-12-9-8-10(14-6-13-8)16-11(15-9)18-2/h3,6,17H,4-5H2,1-2H3,(H2,12,13,14,15,16)/b7-3-
    • InChI Key： OQCUYSWDVHSTFH-CLTKARDFSA-N
    • SMILES： C(O)/C(/C)=C\CNC1=C2C(=NC(SC)=N1)NC=N2

Computed Properties

  • Exact Mass: 265.09995
  • Monoisotopic Mass: 265.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 301
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 112A^2

Experimental Properties

  • Density: 1.42±0.1 g/cm3(Predicted)
  • Boiling Point: 441.4±55.0 °C(Predicted)
  • PSA: 81.37
  • pka: 14.77±0.10(Predicted)

2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (Z)- Related Literature

52020-11-8 (2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (Z)-) Related Products

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd