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3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline

3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline structure

CAS No:
65992-13-4
Formula:
C14H6N10O12S
Chemical Name:
3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline
Synonyms:
NSC676536;CHEMBL1971618;DTXSID90327672;NSC-676536;65992-13-4;NCI60_027095;2,4,6-trinitrophenyl)-1,3,4-thiadiazole;2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole;2,5-Bis(3-amino-2,4,6-tris(hydroxy(oxido)amino)phenyl)-1,3,4-thiadiazole;3-[5-(3-amino-2,4,6-trinitro-phenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitro-aniline

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3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline Basic Attributes

Molecular Weight：

538.3 g/mol

Exact Mass：

537.98873684 g/mol

NSC Number：

676536

DSSTox ID：

DTXSID90327672

Characteristics

PSA：

381 Å²

Computed Properties

Molecular Weight:538.3
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:2
Exact Mass:537.98873684
Monoisotopic Mass:537.98873684
Topological Polar Surface Area:381
Heavy Atom Count:37
Complexity:895
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline

Basic Attributes
Characteristics
Computed Properties

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