Basic information
- CAS
669740-12-9- Standard SMILES
C=CCn1c(COc2ccc(C)c(C)c2)n[nH]c1=S- InChIKey
NLAXDVPFTGDESH-UHFFFAOYSA-N- Molecular formula
- C14H17N3OS
- Average molar mass
- 275.37 g/mol
- Monoisotopic mass
- 275.10923335
Names & identifiers
- Preferred name
- 4-allyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-[(3,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
- English name
- ART-CHEM-BB B018082
- Molecular formula
- C14H17N3OS
- Molecular weight
- 275.37
Names & synonyms
669740-12-94-allyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol4-Allyl-5-((3,4-dimethylphenoxy)methyl)-4H-1,2,4-triazole-3-thiolMFCD040549953-[(3,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione5-[(3,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiolDTXSID00396632ALBB-003400BBL017339STK443775AKOS003328995VS-06071
Show more names
ART-CHEM-BB B018082CHEMBRDG-BB 30180824-allyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethylphenoxy)methyl]-2,4-dihydro-4-(2-propen-1-yl)-
CS-0319594ST50847048H22785F3077594-allyl-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione5-[(3,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol5-[(3,4-Dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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