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1,3-bis(isothiocyanatomethyl)benzene

1,3-bis(isothiocyanatomethyl)benzene structure

CAS No:
28170-90-3
Formula:
C10H8N2S2
Chemical Name:
1,3-bis(isothiocyanatomethyl)benzene
Synonyms:
ISOTHIOCYANIC ACID m-XYLYLENE ESTER;Isothiocyanic acid, m-phenylenedimethylene ester;28170-90-3;1,3-bis(isothiocyanatomethyl)benzene;UNII-1Q4IQ92LJI;1Q4IQ92LJI;Isothiocanic acid, m-xylylene diester;NSC 159971;BRN 4999093;Benzene, 1,3-bis(isothiocyanatomethyl)-;m-Xylylenediisothiocyanate;SCHEMBL483536;DTXSID90182445;ZINC1614746;NSC159971;NSC-159971;Benzene,1,3-bis(isothiocyanatomethyl)-;DS-006738

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1,3-bis(isothiocyanatomethyl)benzene Basic Attributes

Molecular Weight：

220.3 g/mol

Exact Mass：

220.01289061 g/mol

UNII：

1Q4IQ92LJI

NSC Number：

159971

DSSTox ID：

DTXSID90182445

Characteristics

PSA：

88.9 Å²

Computed Properties

Molecular Weight:220.3
XLogP3:4.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:220.01289061
Monoisotopic Mass:220.01289061
Topological Polar Surface Area:88.9
Heavy Atom Count:14
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-bis(isothiocyanatomethyl)benzene

Basic Attributes
Characteristics
Computed Properties

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