Cas no 5498-17-9 (4-(ethylamino)-6-(propan-2-yl)amino-1,3,5-triazine-2-thiol)

4-(ethylamino)-6-(propan-2-yl)amino-1,3,5-triazine-2-thiol structure
5498-17-9 structure
Product Name:4-(ethylamino)-6-(propan-2-yl)amino-1,3,5-triazine-2-thiol
CAS No:5498-17-9
MF:C8H15N5S
MW:213.303199052811
CID:353152
PubChem ID:1233632
Update Time:2025-04-19

4-(ethylamino)-6-(propan-2-yl)amino-1,3,5-triazine-2-thiol Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine-2(1H)-thione, 4-(ethylamino)-6-[(1-methylethyl)amino]-
    • 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
    • 4-(ethylamino)-6-(propan-2-yl)amino-1,3,5-triazine-2-thiol
    • 5498-17-9
    • SCHEMBL11694657
    • 4-(ethylamino)-6-[(propan-2-yl)amino]-1,2-dihydro-1,3,5-triazine-2-thione
    • HMS2549G23
    • MLS000722274
    • 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazine-2-thiol
    • SR-01000005067-1
    • S-Desmethyl Ametryn
    • EN300-265759
    • SMR000235925
    • Oprea1_029516
    • AKOS002305422
    • 4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine-2-thiol
    • AKOS002232607
    • SR-01000005067
    • F0183-0065
    • Oprea1_477090
    • DTXSID10361210
    • CHEMBL1535580
    • Inchi: 1S/C8H15N5S/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
    • InChI Key: BAAMDWUVIPLPOL-UHFFFAOYSA-N
    • SMILES: S=C1N=C(NCC)NC(=N1)NC(C)C

Computed Properties

  • Exact Mass: 213.10505
  • Monoisotopic Mass: 213.10481667g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 282
  • 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: 0.7
  • Topological Polar Surface Area: 92.9?2

Experimental Properties

  • PSA: 60.81

4-(ethylamino)-6-(propan-2-yl)amino-1,3,5-triazine-2-thiol Pricemore >>

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