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4-Methyl-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog No: FT-0678569

CAS No: 38942-51-7

Chemical Name: 4-Methyl-5-phenyl-4H-1,2,4-triazole-3-thiol
Molecular Formula: C9H9N3S
Molecular Weight: 191.26 g/mol
InChI Key: XGLHJEZLNGXEAZ-UHFFFAOYSA-N
InChI: InChI=1S/C9H9N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione
Flash_Point:	117.1ºC
Melting_Point:	N/A
FW:	191.25300
Density:	1.28g/cm3
CAS:	38942-51-7
Bolling_Point:	270.1ºC at 760mmHg
MF:	C9H9N3S

Density:	1.28g/cm3
Computational_Chemistry:	['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA :597 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :243 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	2.14470
Flash_Point:	117.1ºC
Refractive_Index:	1.68
FW:	191.25300
PSA:	65.70000
MF:	C9H9N3S
Bolling_Point:	270.1ºC at 760mmHg
Exact_Mass:	191.05200