Cas no 79686-03-6 (methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate)

methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate structure
79686-03-6 structure
Product Name:methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate
CAS No:79686-03-6
MF:C7H7ClN2O2S
MW:218.660679101944
MDL:MFCD06496440
CID:1026184
PubChem ID:4736921
Update Time:2024-10-27

methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate
    • 5-Chloro-2-(methylthio)-4-pyrimidinecarboxylic Acid Methyl Ester
    • Methyl 5-chloro-2-(methylthio)-pyrimidine-4-carboxylate
    • methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
    • methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate
    • Methyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
    • Methyl 5-chloro-2-methylthiopyrimidine-4-carboxylate
    • 79686-03-6
    • MFCD06496440
    • SCHEMBL4225491
    • PSBLUGJWGGDSKM-UHFFFAOYSA-N
    • 4-Pyrimidinecarboxylic acid, 5-chloro-2-(methylthio)-, methyl ester
    • F14201
    • 5-Chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid methyl ester
    • methyl 5-chloro-2-(methylsulfanyl)-4-pyrimidinecarboxylate
    • SB58085
    • AS-47540
    • AS-871/43307674
    • AKOS000267891
    • CS-0148292
    • DB-360823
    • methyl5-chloro-2-(methylthio)pyrimidine-4-carboxylate
    • DTXSID60406100
    • STK614648
    • Methyl 5-Chloro-2-(methylthio)pyrimidine-4-carboxylate, AldrichCPR
    • MDL: MFCD06496440
    • Inchi: 1S/C7H7ClN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
    • InChI Key: PSBLUGJWGGDSKM-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Cl)=CN=C(SC)N=1)OC

Computed Properties

  • Exact Mass: 217.9916763g/mol
  • Monoisotopic Mass: 217.9916763g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 77.4?2

methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
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eNovation Chemicals LLC
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abcr
AB463167-1 g
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€169.50 2023-04-21
abcr
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