2-Amino-5-ethyl-1,3,4-thiadiazole - CAS 14068-53-2

Catalog:	BB009101
Product Name:	2-Amino-5-ethyl-1,3,4-thiadiazole
CAS:	14068-53-2
Synonyms:	5-ethyl-1,3,4-thiadiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-ethyl-1,3,4-thiadiazol-2-amine
Description:	2-Amino-5-ethyl-1,3,4-thiadiazole (CAS# 14068-53-2) is a useful research chemical compound.
Molecular Weight:	129.18
Molecular Formula:	C4H7N3S
Canonical SMILES:	CCC1=NN=C(S1)N
InChI:	InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChI Key:	QXTRPGAMVIONMK-UHFFFAOYSA-N
Boiling Point:	250 °C
Density:	1.418 g/cm³ (-123 C)
Appearance:	Light beige crystalline powder
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD00003111
LogP:	1.26390

Publication Number	Title	Priority Date
CN-112158851-A	Preparation method of isothiocyanic functionalized silicon dioxide material	20200930
US-2021324179-A1	Controlling cure rate with wetted filler	20200415
WO-2021211182-A1	Compositions containing thermally conductive fillers	20200415
WO-2021211184-A1	Compositions containing thermally conductive fillers	20200415
WO-2021211185-A1	Compositions containing thermally conductive fillers	20200415

PMID	Publication Date	Title	Journal
11600785	20011001	2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole	Acta crystallographica. Section C, Crystal structure communications

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Related Functional Groups

Oxadiazole/Thiadiazole

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.03606841
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.03606841
Rotatable Bond Count:	1
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9