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ETHYL2-(3-THIOXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETATE

ETHYL2-(3-THIOXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETATE structure

CAS No:
2832-87-3
Formula:
C12H13NO2S2
Chemical Name:
ETHYL2-(3-THIOXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETATE
Synonyms:
ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate;MLS000860753;ethyl 2-(3-sulfanylidene-4H-1,4-benzothiazin-2-yl)acetate;SMR000459537;Maybridge1_005076;Oprea1_578556;CHEMBL1319607;BDBM56801;cid_2779130;CTK4G1252

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ETHYL2-(3-THIOXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETATE Basic Attributes

Molecular Weight：

267.36700

Exact Mass：

267.03900

DSSTox ID：

DTXSID20381282

HScode：

2934999090

Characteristics

PSA：

95.72000

XLogP3：

2.99140

Density：

1.33g/cm3

Melting Point：

106ºC

Boiling Point：

375ºC at 760 mmHg

Flash Point：

180.6ºC

Refractive Index：

1.65

Safety Information

safety instructions：

S24/25

Computed Properties

Molecular Weight:267.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:267.03877100
Monoisotopic Mass:267.03877100
Topological Polar Surface Area:95.7
Heavy Atom Count:17
Complexity:309
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ETHYL2-(3-THIOXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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