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1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene

1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene structure

CAS No:
40939-76-2
Formula:
C14H8N2O2S3
Chemical Name:
1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene
Synonyms:
NSC140911;40939-76-2;bis(3-Isothiocyanatophenyl)sulphone;1,1'-sulfonylbis(3-isothiocyanatobenzene);NCIMech_000641;CHEMBL1982931;DTXSID10301075;ZINC1725949;CCG-35744;NSC-140911;3,3'-sulfonylbis(isothiocyanatobenzene);NCI60_000899;Benzene,1,1-sulfonylbis[3-isothiocyanato-;DS-006724;Isothiocyanic acid, sulfonyldi-m-phenylene ester

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1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene Basic Attributes

Molecular Weight：

332.4 g/mol

Exact Mass：

331.97479102 g/mol

NSC Number：

140911

DSSTox ID：

DTXSID10301075

Characteristics

PSA：

131 Å²

Computed Properties

Molecular Weight:332.4
XLogP3:5.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:331.97479102
Monoisotopic Mass:331.97479102
Topological Polar Surface Area:131
Heavy Atom Count:21
Complexity:513
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene

Basic Attributes
Characteristics
Computed Properties

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