Cas no 1023812-08-9 (5-bromo-2-(methylthio)pyrimidine-4-carbonitrile)

5-Bromo-2-(methylthio)pyrimidine-4-carbonitrile is a heterocyclic compound featuring a pyrimidine core substituted with a bromo group at the 5-position, a methylthio moiety at the 2-position, and a cyano group at the 4-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The bromo and cyano groups offer reactive sites for further functionalization, while the methylthio substituent enhances stability and influences electronic properties. Its well-defined reactivity profile allows for selective modifications, making it valuable for constructing complex molecular frameworks. The compound is typically handled under standard laboratory conditions, ensuring consistent performance in synthetic applications.
5-bromo-2-(methylthio)pyrimidine-4-carbonitrile structure
1023812-08-9 structure
Product Name:5-bromo-2-(methylthio)pyrimidine-4-carbonitrile
CAS No:1023812-08-9
MF:C6H4BrN3S
MW:230.08505821228
CID:5185801
Update Time:2026-03-05

5-bromo-2-(methylthio)pyrimidine-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-2-(methylthio)pyrimidine-4-carbonitrile
    • 4-Pyrimidinecarbonitrile, 5-bromo-2-(methylthio)-
    • Inchi: 1S/C6H4BrN3S/c1-11-6-9-3-4(7)5(2-8)10-6/h3H,1H3
    • InChI Key: QSEORAMKSVYPIR-UHFFFAOYSA-N
    • SMILES: C1(SC)=NC=C(Br)C(C#N)=N1

Computed Properties

  • Exact Mass: 228.931
  • Monoisotopic Mass: 228.931
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 178
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 74.9A^2

5-bromo-2-(methylthio)pyrimidine-4-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM484406-1g
5-Bromo-2-(methylthio)pyrimidine-4-carbonitrile
1023812-08-9 97%
1g
$539 2023-02-27
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD605764-1g
5-Bromo-2-(methylthio)pyrimidine-4-carbonitrile
1023812-08-9 95%
1g
¥3773.0 2024-04-18
Ambeed
A364166-1g
5-Bromo-2-(methylthio)pyrimidine-4-carbonitrile
1023812-08-9 95%
1g
$550.0 2024-04-26
Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd