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3-(Butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine hydrochloride

3-(Butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine hydrochloride - CAS 1432026-63-5

Catalog:	BB052227
Product Name:	3-(Butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine hydrochloride
CAS:	1432026-63-5
Synonyms:	3-(Butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-aminehydrochloride

Technical Data

Computed Properties

IUPAC Name:	3-butylsulfanyl-5-(difluoromethyl)-1,2,4-triazol-4-amine;hydrochloride
Molecular Weight:	258.72
Molecular Formula:	C7H13ClF2N4S
Canonical SMILES:	CCCCSC1=NN=C(N1N)C(F)F.Cl
InChI:	InChI=1S/C7H12F2N4S.ClH/c1-2-3-4-14-7-12-11-6(5(8)9)13(7)10;/h5H,2-4,10H2,1H3;1H
InChI Key:	NTZXOGIZQQKJII-UHFFFAOYSA-N

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Amines and Anilines

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Fluorinated Building Blocks

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Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
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4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Triazole/Tetrazole

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[483993-77-7]
N-(2-Ethoxyphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
[55862-52-7]
[(1-Methyl-1h-tetrazol-5-yl)thio]acetic acid
[1174856-28-0]
1-Propyl-4-(6,7,8,9-Tetrahydro-5H-[1,2,4]Triazolo[4,3-A]Azepin-3-Yl)-1H-Pyrazol-3-Amine
[740816-14-2]
5a(S),10b(R)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.0517516
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	258.0517516
Rotatable Bond Count:	5
Topological Polar Surface Area:	82
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0