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8-Thio-(1,2,4)-triazolo<4,3-d>-1,4-dibenzothiazepine

8-Thio-(1,2,4)-triazolo<4,3-d>-1,4-dibenzothiazepine structure

CAS No:
122033-04-9
Formula:
C14H9N3S2
Chemical Name:
8-Thio-(1,2,4)-triazolo<4,3-d>-1,4-dibenzothiazepine
Synonyms:
8-Thio-(1,2,4)-triazolo(4,3-d)(b,e)-1,4-dibenzothiazepine; Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol;

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8-Thio-(1,2,4)-triazolo<4,3-d>-1,4-dibenzothiazepine Basic Attributes

Molecular Weight：

283.37100

Exact Mass：

283.02378965

DSSTox ID：

DTXSID40153483

Characteristics

PSA：

94.81000

XLogP3：

3.68760

Density：

1.51g/cm3

Boiling Point：

564.6ºC at 760mmHg

Flash Point：

295.3ºC

Refractive Index：

1.827

Vapor Pressure：

9.03E-13mmHg at 25°C

Computed Properties

Molecular Weight:283.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:283.02378965
Monoisotopic Mass:283.02378965
Topological Polar Surface Area:57
Heavy Atom Count:19
Complexity:341
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Thio-(1,2,4)-triazolo<4,3-d>-1,4-dibenzothiazepine

Basic Attributes
Characteristics
Computed Properties

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