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4,5-Dicyclopropyl-4H-1,2,4-triazole-3-thiol

4,5-Dicyclopropyl-4H-1,2,4-triazole-3-thiol - CAS 853723-97-4

Catalog:	BB048479
Product Name:	4,5-Dicyclopropyl-4H-1,2,4-triazole-3-thiol
CAS:	853723-97-4
Synonyms:	4,5-dicyclopropyl-1,2,4-triazole-3-thiol; 4,5-Dicyclopropyl-4H-[1,2,4]triazole-3-thiol; 3H-1,2,4-Triazole-3-thione, 4,5-dicyclopropyl-2,4-dihydro-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3,4-dicyclopropyl-1H-1,2,4-triazole-5-thione
Description:	4,5-Dicyclopropyl-4H-1,2,4-triazole-3-thiol (CAS# 853723-97-4 ) is a useful research chemical.
Molecular Weight:	181.26
Molecular Formula:	C8H11N3S
Canonical SMILES:	C1CC1C2=NNC(=S)N2C3CC3
InChI:	InChI=1S/C8H11N3S/c12-8-10-9-7(5-1-2-5)11(8)6-3-4-6/h5-6H,1-4H2,(H,10,12)
InChI Key:	POEHKVJDADUKKD-UHFFFAOYSA-N
Boiling Point:	256.8±23.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.7±0.1 g/cm³

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.06736854
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.06736854
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1