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Home> Encyclopedia > Hot Product Listed M   > MOLPORT-005-835-913
793678-87-2 structure

MOLPORT-005-835-913

Iupac Name:4-(3-methoxypropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CAS No.:793678-87-2
Molecular Weight:189.233
Molecular Formula:C6H11N3O2S (isomer)
Names and Identifiers
Synonyms

4-(3-methoxypropyl)-5-sulfanyl-4h-1,2,4-triazol-3-ol 5-mercapto-4-(3-methoxypropyl)-4h-1,2,4-triazol-3-ol AC1Q4FRX AKOS005199422 EN300-11284 MOLPORT-002-467-672 NE22582 T5300302 TX-010028 ZINC4204537

Inchi
InChI=1S/C6H11N3O2S/c1-11-4-2-3-9-5(10)7-8-6(9)12/h2-4H2,1H3,(H,7,10)(H,8,12)
InChkey
UFDPANLOTXANNR-UHFFFAOYSA-N
Canonical Smiles
COCCCN1C(=O)NNC1=S
Computational chemical data
  • Molecular Weight:189.233g/mol
  • Molecular Formula:C6H11N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:189.057
  • Monoisotopic Mass:189.057
  • Complexity:197
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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