Cas no 89283-48-7 (4-chloro-6-methylsulfanyl-pyrimidine)

4-chloro-6-methylsulfanyl-pyrimidine structure
89283-48-7 structure
Product Name:4-chloro-6-methylsulfanyl-pyrimidine
CAS No:89283-48-7
MF:C5H5ClN2S
MW:160.624598264694
MDL:MFCD09870036
CID:61245
PubChem ID:329826143
Update Time:2024-10-26

4-chloro-6-methylsulfanyl-pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-6-(methylthio)pyrimidine
    • 4-Chloro-6-methylthiopyrimidine
    • 4-chloro-6-methylsulfanylpyrimidine
    • Pyrimidine, 4-chloro-6-(methylthio)-
    • 4-Chlor-methylmercapto-pyrimidin
    • 4-chloro-6-methylsulfanyl-pyrimidine
    • 4-chloro-6-thiomethylpyrimidine
    • 6-chloro-4-methylthiopyrimidine
    • Pyrimidine,4-chloro-6-(methylthio)
    • 4-chloro-6-(methylsulfanyl)pyrimidine
    • Pyrimidine,4-chloro-6-(methylthio)-
    • BMQSAIGMUNXTKZ-UHFFFAOYSA-N
    • 4-(Methylthio)-6-chloropyrimidine
    • TRA0083799
    • WT81915
    • AB0027391
    • ST2
    • 4-Chloro-6-(methylthio)pyrimidine (ACI)
    • 4-Chloro-6-methylthiopyrimidine, AldrichCPR
    • J-515119
    • DTXSID50618311
    • CS-W009206
    • SY034811
    • 89283-48-7
    • SB57446
    • AKOS010530156
    • SCHEMBL1660128
    • DS-10658
    • MFCD09870036
    • MDL: MFCD09870036
    • Inchi: 1S/C5H5ClN2S/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
    • InChI Key: BMQSAIGMUNXTKZ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(SC)N=CN=1

Computed Properties

  • Exact Mass: 159.98600
  • Monoisotopic Mass: 159.986
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 91
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 51.1

Experimental Properties

  • Density: 1.37
  • Boiling Point: 260 oC
  • Flash Point: 111 oC
  • Refractive Index: 1.595
  • PSA: 51.08000
  • LogP: 1.85190

4-chloro-6-methylsulfanyl-pyrimidine Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 43
  • Safety Instruction: 36/37
  • Storage Condition:Inert atmosphere,2-8°C

4-chloro-6-methylsulfanyl-pyrimidine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-chloro-6-methylsulfanyl-pyrimidine Pricemore >>

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4-chloro-6-methylsulfanyl-pyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ,  Water ;  3 °C; 4 h, 3 °C → rt
1.2 Reagents: Water ;  rt
Reference
Synthesis of Alkylated Pyrimidines via Photoinduced Coupling Using Benzophenone as a Mediator
Kamijo, Shin ; Kamijo, Kaori; Murafuji, Toshihiro, Journal of Organic Chemistry, 2017, 82(5), 2664-2671

Production Method 2

Reaction Conditions
1.1 16 - 72 h, 60 °C
1.2 Solvents: Methanol
Reference
BF3·SMe2 for Thiomethylation, Nitro Reduction and Tandem Reduction/SMe Insertion of Nitrogen Heterocycles
Soederstroem, Marcus; Zamaratski, Edouard; Odell, Luke R., European Journal of Organic Chemistry, 2019, 2019(31-32), 5402-5408

Production Method 3

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ,  Water ;  4 h, rt
Reference
Design, synthesis and herbicidal evaluation of novel 4-(1H-pyrazol-1-yl)pyrimidine derivatives
Ma, Hong-Ju; Zhang, Jian-Hua; Xia, Xiang-Dong; Kang, Jing; Li, Jian-Hong, Pest Management Science, 2015, 71(8), 1189-1196

4-chloro-6-methylsulfanyl-pyrimidine Raw materials

4-chloro-6-methylsulfanyl-pyrimidine Preparation Products

4-chloro-6-methylsulfanyl-pyrimidine Related Literature

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