Cas no 39222-73-6 (2-Amino-5-tert-butyl-1,3,4-thiadiazole)

2-Amino-5-tert-butyl-1,3,4-thiadiazole is a heterocyclic organic compound featuring a thiadiazole core substituted with an amino group and a tert-butyl moiety. This structure imparts unique chemical properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its tert-butyl group enhances steric hindrance, influencing reactivity and stability, while the amino group provides a versatile site for further functionalization. The compound is particularly useful in the development of biologically active molecules, including potential antimicrobial and antifungal agents. Its well-defined structure and reactivity profile make it a reliable building block for research and industrial applications requiring precise molecular modifications.
2-Amino-5-tert-butyl-1,3,4-thiadiazole structure
39222-73-6 structure
Product Name:2-Amino-5-tert-butyl-1,3,4-thiadiazole
CAS No:39222-73-6
MF:C6H11N3S
MW:157.236639261246
MDL:MFCD00040403
CID:89336
PubChem ID:24874411
Update Time:2025-10-29

2-Amino-5-tert-butyl-1,3,4-thiadiazole Chemical and Physical Properties

Names and Identifiers

    • 5-(tert-Butyl)-1,3,4-thiadiazol-2-amine
    • 2-Amino-5-tert-butyl-1,3,4-thiadiazole
    • 5-tert-Butyl-[1,3,4]thiadiazol-2-ylamine
    • 5-tert-butyl-1,3,4-thiadiazol-2-amine
    • TebuthiuronTP108
    • 1,3,4-Thiadiazol-2-amine,5-(1,1-dimethylethyl)
    • 2-amino-5-t-butyl-1,3,4-thiadiazole
    • 5-(tert-butyl)-1,3,4-thiadiazole-2-ylamine
    • 5-t-butyl-2-amino1,3,4-thiadiazole
    • 5-tert-Butyl-[1,3,4]thiadiazol-2-amine
    • UNII-X53J1T94SN
    • SCHEMBL282538
    • 2-t-butyl-5-amino-1,3,4-thiadiazole
    • 2-Amino-5-tert-butyl-1,3,4-thiadiazole, 97%
    • Buthidazolamine
    • AR2285
    • 5-TERT-BUTYL-2-AMINO-1,3,4-THIADIAZOLE
    • 5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-amine
    • 5-t-butyl- 2-amino-1,3,4-thiadiazole
    • AKOS000269706
    • 2-Amino-5-tertbutyl-1,3,4-thiadiazole
    • 39222-73-6
    • 2-amino-5-tert.-butyl-1,3,4-thiadiazole
    • EN300-02535
    • IDI1_007913
    • FT-0611190
    • EINECS 254-364-2
    • X53J1T94SN
    • Z56755572
    • 5-t-butyl-2-amino-1,3,4-thiadiazole
    • 2-amino-5-tert butyl-1,3,4-thiadiazole
    • DTXSID9068168
    • Enamine_005678
    • GEO-00093
    • Q27293571
    • (3-Bromophenyl)-oxo-acetonitrile
    • BB 0218347
    • 5-t-butyl-2-amino-1, 3,4-thiadiazole
    • 2-DIMETHYLETHYL-5-AMINO-1,3,4-THIADIAZOLE
    • Tebuthiuron-N-desmethyl-N-des(N-methyl)carbamoyl
    • MFCD00040403
    • CS-W010909
    • HMS1410C02
    • AM803833
    • SY078881
    • A6571
    • MS-0033
    • 1,3,4-Thiadiazol-2-amine, 5-(1,1-dimethylethyl)-
    • W-200337
    • NS00030549
    • 5-tert-Butyl-1,3,4-thiadiazol-2-amine #
    • FT-0611191
    • STK500400
    • ALBB-000319
    • DB-020486
    • MDL: MFCD00040403
    • Inchi: 1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)
    • InChI Key: ICXDPEFCLDSXLI-UHFFFAOYSA-N
    • SMILES: S1C(N)=NN=C1C(C)(C)C
    • BRN: 119853

Computed Properties

  • Exact Mass: 157.06700
  • Monoisotopic Mass: 157.067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 121
  • 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: 2
  • XLogP3: 1.7
  • Topological Polar Surface Area: 80A^2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.17
  • Melting Point: 183-187?°C (lit.)
  • Boiling Point: 272.3°Cat760mmHg
  • Flash Point: 118.5°C
  • Refractive Index: 1.56
  • PSA: 80.04000
  • LogP: 1.99900
  • Solubility: Insoluble

2-Amino-5-tert-butyl-1,3,4-thiadiazole Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H332
  • Warning Statement: P264;P270;P301+P312;P330;P501
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 20/22
  • Safety Instruction: S22-S26-S36
  • Hazardous Material Identification: Xn Xi
  • Risk Phrases:R20/22
  • HazardClass:IRRITANT
  • TSCA:Yes
  • Storage Condition:Room temperature

2-Amino-5-tert-butyl-1,3,4-thiadiazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-Amino-5-tert-butyl-1,3,4-thiadiazole Production Method

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