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1,3,5-triisothiocyanatobenzene

1,3,5-triisothiocyanatobenzene structure

CAS No:
101670-67-1
Formula:
C9H3N3S3
Chemical Name:
1,3,5-triisothiocyanatobenzene
Synonyms:
1,3,5-Triisothiocyanatobenzene;ISOTHIOCYANIC ACID, s-PHENENYL ESTER;101670-67-1;Isothiocyanic acid, s-phenenyl triester;BRN 3293763;Benzene,1,3,5-triisothiocyanato-;ACMC-20m4p4;3-13-00-00555 (Beilstein Handbook Reference);1,3,5-Trithioisocyanobenzene;SCHEMBL7387255;1,3,5-triisothio-cyanatobenzene;DTXSID60144111;1,3,5-Triisothiocyanatobenzene #;ZINC2012087

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1,3,5-triisothiocyanatobenzene Basic Attributes

Molecular Weight：

249.3 g/mol

Exact Mass：

248.94891063 g/mol

DSSTox ID：

DTXSID60144111

Characteristics

PSA：

133 Å²

Computed Properties

Molecular Weight:249.3
XLogP3:6.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:248.94891063
Monoisotopic Mass:248.94891063
Topological Polar Surface Area:133
Heavy Atom Count:15
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,5-triisothiocyanatobenzene

Basic Attributes
Characteristics
Computed Properties

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