3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole - CAS 30165-96-9

Catalog:	BB020475
Product Name:	3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole
CAS:	30165-96-9
Synonyms:	4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine
Description:	3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole (CAS# 30165-96-9) is an intermediate for the synthesis of Timolol.
Molecular Weight:	205.67
Molecular Formula:	C6H8ClN3OS
Canonical SMILES:	C1COCCN1C2=NSN=C2Cl
InChI:	InChI=1S/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChI Key:	LAUCCQWGVCJGFT-UHFFFAOYSA-N
Boiling Point:	307.8 °C at 760 mmHg
Density:	1.462 g/cm³
Appearance:	White powder
MDL:	MFCD00274160
LogP:	1.09310

Publication Number	Title	Priority Date
WO-2019131922-A1	Aryloxy compound	20171227
JP-2021042126-A	Aryloxy compound	20171227
JP-2018016725-A	Silicone grease composition	20160728
CN-109071523-A	A kind of carbamide compounds, preparation method and its medical usage	20160311
EP-3424924-A1	Urea compound, preparation method therefor and medical use thereof	20160311

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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
[478030-57-8]
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
[18212-20-9]
Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
[55983-96-5]
Methyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0076608
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.0076608
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4