2-[[5-[[3,5-Bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide - CAS 1006343-50-5

Name: 2-[[5-[[3,5-Bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Brand: BOC Sciences
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Catalog:	BB045943
Product Name:	2-[[5-[[3,5-Bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CAS:	1006343-50-5
Synonyms:	2-((5-((3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide

Technical Data

Computed Properties

IUPAC Name:	2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Description:	2-[[5-[[3,5-Bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide (CAS# 1006343-50-5 ) is a useful research chemical.
Molecular Weight:	381.36
Molecular Formula:	C12H15F4N7OS
Canonical SMILES:	CCN1C(=NN=C1SCC(=O)NN)CN2C(=CC(=N2)C(F)F)C(F)F
InChI:	InChI=1S/C12H15F4N7OS/c1-2-22-8(19-20-12(22)25-5-9(24)18-17)4-23-7(11(15)16)3-6(21-23)10(13)14/h3,10-11H,2,4-5,17H2,1H3,(H,18,24)
InChI Key:	JEPOKBUWDFZANA-UHFFFAOYSA-N
Density:	1.7±0.1 g/cm³

Complexity:	450
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	381.09949195
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	381.09949195
Rotatable Bond Count:	8
Topological Polar Surface Area:	129
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4

2-[[5-[[3,5-Bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide - CAS 1006343-50-5

Technical Data

Computed Properties

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