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5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione

5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione structure

CAS No:
100476-50-4
Formula:
C16H11N3O3S
Chemical Name:
5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione
Synonyms:
2-<2'-(benzoxazolyl)phenoxymethyl>-5-mercaptooxadiazole; 2-((p-(2-Benzoxazolyl)phenoxy)methyl)-5-mercaptooxadiazole; 5-((4-(2-Benzoxazolyl)phenoxy)methyl)-1,3,4-oxadiazole-2(3H)-thione; 1,3,4-OXADIAZOLE-2(3H)-THIONE,5-((4-(2-BENZOXAZOLYL)PHENOXY)METHYL);

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5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione Basic Attributes

Molecular Weight：

325.34200

Exact Mass：

325.05211239

DSSTox ID：

DTXSID80143308

Characteristics

PSA：

109.17000

XLogP3：

4.11940

Density：

1.48g/cm3

Boiling Point：

457.3ºC at 760 mmHg

Flash Point：

230.4ºC

Refractive Index：

1.725

Vapor Pressure：

1.51E-08mmHg at 25°C

Computed Properties

Molecular Weight:325.3
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:325.05211239
Monoisotopic Mass:325.05211239
Topological Polar Surface Area:101
Heavy Atom Count:23
Complexity:479
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione

Basic Attributes
Characteristics
Computed Properties

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