3,4-Dichloro-1,2,5-thiadiazole - CAS 5728-20-1

Catalog:	BB029626
Product Name:	3,4-Dichloro-1,2,5-thiadiazole
CAS:	5728-20-1
Synonyms:	3,4-dichloro-1,2,5-thiadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4-dichloro-1,2,5-thiadiazole
Description:	3,4-Dichloro-1,2,5-thiadiazole (CAS# 5728-20-1) is a chlorinated thiadiazole that is a potent inhibitors of nitrification in soil. 3,4-Dichloro-1,2,5-thiadiazole is used as a building block in the preparaton of the β-adrenergic blocking agent, Timolol (T443700).
Molecular Weight:	155.01
Molecular Formula:	C2Cl2N2S
Canonical SMILES:	C1(=NSN=C1Cl)Cl
InChI:	InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1
InChI Key:	YNZQOVYRCBAMEU-UHFFFAOYSA-N
Boiling Point:	158 °C
Density:	1.648 g/cm³
MDL:	MFCD00010072
LogP:	1.84490

Publication Number	Title	Priority Date
WO-2021060042-A1	Compound, composition, film, structural body, and electronic device	20190925
WO-2020158256-A1	Conjugated polymer compound, method for producing same, and organic semiconductor material and organic semiconductor device using said compound	20190201
WO-2020153121-A1	Compound and method for producing compound	20190123
WO-2020090636-A1	Compound, production method therefor, and organic semiconductor material obtained using said compound	20181030
TW-202035420-A	Compound, manufacturing method thereof, and organic semiconductor material using the compound	20181030

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]
Ethyl 3-((3,5-dimethyl-4-nitro-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
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-29-5]
Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate
[37760-54-6]
Ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
[938459-04-2]
N-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

GHS Hazard Statement:	H301 (11.11%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	62.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.9159246
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	153.9159246
Rotatable Bond Count:	0
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3