5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol - CAS 23766-26-9

Name: 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018174
Product Name:	5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CAS:	23766-26-9
Synonyms:	5-(4-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione

Technical Data

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Computed Properties

IUPAC Name:	5-(4-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Description:	5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol (CAS# 23766-26-9) is a useful research chemical.
Molecular Weight:	208.24
Molecular Formula:	C9H8N2O2S
Canonical SMILES:	COC1=CC=C(C=C1)C2=NNC(=S)O2
InChI:	InChI=1S/C9H8N2O2S/c1-12-7-4-2-6(3-5-7)8-10-11-9(14)13-8/h2-5H,1H3,(H,11,14)
InChI Key:	UGHZJAXROLHKEH-UHFFFAOYSA-N
Boiling Point:	290.1 °C at 760 mmHg
Density:	1.38 g/cm³
MDL:	MFCD00462871
LogP:	2.03390

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1171337-26-0]C11H13ClN4O3
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]C12H16N4O3
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]C13H14N2O5
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate

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

Publication Number	Title	Priority Date
CN-111116506-A	Synthetic method of aromatic mercapto-diazole derivative	20191231
CN-110698422-A	Synthetic method of aromatic mercapto-diazole derivative	20190920
US-10145993-B1	Retroreflectors providing information encoded in reflected non-visible laser while retaining visible light safety properties	20171006
US-2020292735-A1	Retroreflectors providing information encoded in reflected non-visible laser while retaining visible light safety properties	20171006
CN-105061351-A	1,3,4-oxadiazole based disulfide compound and preparation method thereof	20150908

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.03064868
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.03064868
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2