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Home> Hot Product Listed 3   > 3H-1,2,4-Triazole-3-thione,5-(2-furanyl)-2,4-dihydro-4-(2-propen-1-yl)-
60870-43-1 structure

3H-1,2,4-Triazole-3-thione,5-(2-furanyl)-2,4-dihydro-4-(2-propen-1-yl)-

Iupac Name:3-(furan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
CAS No.:60870-43-1
Molecular Weight:207.251
Molecular Formula:C9H9N3OS (isomer)
Names and Identifiers
Synonyms

3-(2-furanyl)-4-prop-2-enyl-1h-1,2,4-triazole-5-thione 3-(furan-2-yl)-4-prop-2-enyl-1h-1,2,4-triazole-5-thione 3H-1,2,4-Triazole-3-thione,5-(2-furanyl)-2,4-dihydro-4-(2-propenyl)- (9CI) 4-allyl-3-(2-furyl)-1h-1,2,4-triazole-5-thione 4-allyl-5-(2-furyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione 4-allyl-5-(2-furyl)-4h-1,2,4-triazol-3-yl hydrosulfide 4-allyl-5-(2-furyl)-4h-1,2,4-triazol-3-ylhydrosulfide 4-allyl-5-(2-furyl)-4h-1,2,4-triazole-3-thiol 4-allyl-5-(furan-2-yl)-4h-1,2,4-triazole-3-thiol 4-allyl-5-furan-2-yl-2,4-dihydro-[1,2,4]triazole-3-thione 4-allyl-5-furan-2-yl-4h-[1,2,4]triazole-3-thiol 5-(furan-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3h-1,2,4-triazole-3-thione 5-(furan-2-yl)-4-(prop-2-en-1-yl)-2h-1,2,4-triazole-3-thione 5-(furan-2-yl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazole-3-thiol 6602AE AC1LE4AV AC1Q7FAA AC1Q7GJG AF-615/11251025 AK324980 AKOS000100177 AKOS000348107 ALBB-003209 BAS 04391821 BBL013435 bdbm48626 BIM-0027497.P001 CBMICRO_027434 CCG-15969 CHEMBL1561653 cid_706129 DTXSID50351650 EN300-24451 fch1317015 fch3673065 HMS2187O06 mfcd01407792 MLS000113742 MOLPORT-000-709-001 MOLPORT-000-860-469 R4518 SCHEMBL1544598 smr000109634 STK135664 STK795372 STOCK1S-33015 STOCK3S-16853 YSDWGZLERHARHG-UHFFFAOYSA-N ZERO/001707 ZINC239020 zx-an003189

Inchi
InChI=1S/C9H9N3OS/c1-2-5-12-8(10-11-9(12)14)7-4-3-6-13-7/h2-4,6H,1,5H2,(H,11,14)
InChkey
YSDWGZLERHARHG-UHFFFAOYSA-N
Canonical Smiles
C=CCN1C(=NNC1=S)C2=CC=CO2
Properties
Density
1.33
Boiling Point
277.7°C at 760 mmHg
Refractive Index
1.664
Flash Point
121.8°C
HS Code
2934999090
Safety and Handling
Hazard Codes
Xi
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:207.251g/mol
  • Molecular Formula:C9H9N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:207.047
  • Monoisotopic Mass:207.047
  • Complexity:290
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:14
  • 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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