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5-pyridin-4-yl-3H-1,3,4-thiadiazol-2-one

5-pyridin-4-yl-3H-1,3,4-thiadiazol-2-one structure

CAS No:
13570-31-5
Formula:
C7H5N3OS
Chemical Name:
5-pyridin-4-yl-3H-1,3,4-thiadiazol-2-one
Synonyms:
5-pyridin-4-yl-3H-1,3,4-thiadiazol-2-one;13570-31-5;5-(pyridin-4-yl)-1,3,4-thiadiazol-2(3h)-one;NSC147089;DTXSID00301882;ZINC1729014;NSC-147089;2-(4-Pyridyl)-5-hydroxy-1,3,4-thiadiazole

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5-pyridin-4-yl-3H-1,3,4-thiadiazol-2-one Basic Attributes

Molecular Weight：

179.20 g/mol

Exact Mass：

179.01533297 g/mol

NSC Number：

147089

DSSTox ID：

DTXSID00301882

Characteristics

PSA：

79.6 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:179.20
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.01533297
Monoisotopic Mass:179.01533297
Topological Polar Surface Area:79.6
Heavy Atom Count:12
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-pyridin-4-yl-3H-1,3,4-thiadiazol-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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