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ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate

ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate structure

CAS No:
131666-72-3
Formula:
C14H15N3O3S
Chemical Name:
ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
Synonyms:
HMS555I20;

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ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate Basic Attributes

Molecular Weight：

305.35200

Exact Mass：

305.08341252

DSSTox ID：

DTXSID60381286

HScode：

2933990090

Characteristics

PSA：

119.30000

XLogP3：

1.48850

Density：

1.37g/cm3

Melting Point：

150ºC

Boiling Point：

495.5ºC at 760mmHg

Flash Point：

253.4ºC

Refractive Index：

1.65

Vapor Pressure：

5.89E-10mmHg at 25°C

Safety Information

safety instructions：

S24/25

Computed Properties

Molecular Weight:305.35
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:305.08341252
Monoisotopic Mass:305.08341252
Topological Polar Surface Area:117
Heavy Atom Count:21
Complexity:478
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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