5-Chloro-3-(methylthio)-1h-1,2,4-triazole
Basic information
- CAS
51108-40-8- Standard SMILES
CSc1n[nH]c(Cl)n1- InChIKey
OHSLSIPPSDHLTR-UHFFFAOYSA-N- Molecular formula
- C3H4ClN3S
- Average molar mass
- 149.6 g/mol
- Monoisotopic mass
- 148.981446
Names & identifiers
- Preferred name
- 5-Chloro-3-(methylthio)-1h-1,2,4-triazole
- IUPAC
- 5-chloro-3-methylsulfanyl-1H-1,2,4-triazole
- English name
- 5-chloro-3-(methylthio)-1H-1,2,4-triazole(SALTDATA: FREE)
- Molecular formula
- C3H4ClN3S
- Molecular weight
- 149.6
Names & synonyms
5-chloro-3-(methylthio)-1h-1,2,4-triazole51108-40-85-chloro-3-methylsulfanyl-1H-1,2,4-triazoleMFCD131886135-Chloro-3-(methylsulfanyl)-1H-1,2,4-triazole1H-1,2,4-triazole, 5-chloro-3-(methylthio)-NSC207098DTXSID00308674ALBB-012341AKOS005173623AT12265NSC-207098
Show more names
3-chloro-5-(methylthio)-2H-1,2,4-triazole3-chloro-5-(methylthio)-4H-1,2,4-triazole3-chloro-5-methylsulfanyl-2H-1,2,4-triazole
LS-03861DB-196511CS-0327111F3122145-chloro-3-(methylthio)-1H-1,2,4-triazole(SALTDATA: FREE)
Database identifiers
- CAS
51108-40-8- PubChem CID
- 307979
- DTXSID
DTXSID00308674
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.9
Physicochemical properties
- 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_class
- IRRITANT
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Related reactions
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Compound notes
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