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methyl 4-[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

methyl 4-[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate structure

CAS No:
733031-48-6
Formula:
C16H13N5O2S
Chemical Name:
methyl 4-[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate
Synonyms:
733031-48-6;AKOS034468315;MCULE-2116549814;Z56960371;methyl 4-({[3-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzoate

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methyl 4-[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Basic Attributes

Molecular Weight：

339.4 g/mol

Exact Mass：

339.07899585 g/mol

Characteristics

PSA：

111 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:339.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:339.07899585
Monoisotopic Mass:339.07899585
Topological Polar Surface Area:111
Heavy Atom Count:24
Complexity:543
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 4-[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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