5-(5-methylthien-3-yl)-4-propyl-4H-1,2,4-triazole-3-thiol
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Basic information
- CAS
667436-25-1- Standard SMILES
CCCn1c(-c2csc(C)c2)n[nH]c1=S- InChIKey
MKTVGIOPVDYHBM-UHFFFAOYSA-N- Molecular formula
- C10H13N3S2
- Average molar mass
- 239.4 g/mol
- Monoisotopic mass
- 239.05508977
Names & identifiers
- Preferred name
- 5-(5-methylthien-3-yl)-4-propyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(5-methylthiophen-3-yl)-4-propyl-1H-1,2,4-triazole-5-thione
- English name
- 5-(5-METHYLTHIEN-3-YL)-4-PROPYL-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C10H13N3S2
- Molecular weight
- 239.36
Names & synonyms
667436-25-15-(5-methylthien-3-yl)-4-propyl-4H-1,2,4-triazole-3-thiol5-(5-methylthiophen-3-yl)-4-propyl-4H-1,2,4-triazole-3-thiolMFCD034234175-(5-methyl-3-thienyl)-4-propyl-4H-1,2,4-triazole-3-thiol3-(5-methylthiophen-3-yl)-4-propyl-1H-1,2,4-triazole-5-thioneDTXSID90396005ALBB-003163BBL017181STK441888AKOS003312975VS-05924
Show more names
IVK/14163625-(5-methyl-3-thienyl)-4-propyl-2H-1,2,4-triazole-3-thione5-(5-methylthiophen-3-yl)-4-propyl-2H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5-methyl-3-thienyl)-4-propyl-5-(5-methyl-3-thienyl)-4-propyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
CS-0319610ST50845934H22591F3076803-(5-methyl-3-thienyl)-4-propyl-1H-1,2,4-triazole-5-thione5-(5-methyl(3-thienyl))-4-propyl-1,2,4-triazole-3-thiol5-(5-Methylthiophen-3-yl)-4-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
667436-25-1- PubChem CID
- 3757428
- DTXSID
DTXSID90396005
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 329.6 · 329.6±44.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 8.36 · 8.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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