2-Chloro-5-ethyl-1,3,4-thiadiazole - CAS 71859-81-9

Catalog:	BB034484
Product Name:	2-Chloro-5-ethyl-1,3,4-thiadiazole
CAS:	71859-81-9
Synonyms:	2-chloro-5-ethyl-1,3,4-thiadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-5-ethyl-1,3,4-thiadiazole
Description:	2-Chloro-5-ethyl-1,3,4-thiadiazole (CAS# 71859-81-9) is a useful research chemical.
Molecular Weight:	148.61
Molecular Formula:	C4H5ClN2S
Canonical SMILES:	CCC1=NN=C(S1)Cl
InChI:	InChI=1S/C4H5ClN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChI Key:	CLUNMUKPUZKTQF-UHFFFAOYSA-N
Boiling Point:	234.1 °C at 760 mmHg
Density:	1.349 g/cm³
MDL:	MFCD17011731
LogP:	1.75390

Publication Number	Title	Priority Date
JP-2019506430-A	Glycosidase inhibitor	20160225
JP-2019510006-A	Glycosidase inhibitor	20160225
JP-2014169378-A	Rubber composition and vulcanized foam molded article	20130304
TW-201439170-A	Chloroprene rubber composition and vulcanized compact	20130130
WO-2014119517-A1	Chloroprene rubber composition and vulcanized molded article	20130130

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	80.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.986197
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.986197
Rotatable Bond Count:	1
Topological Polar Surface Area:	54
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2