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4-tert-butyl-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo[2.2.2]octane

4-tert-butyl-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo[2.2.2]octane structure

CAS No:
119963-45-0
Formula:
C16H19NO3S
Chemical Name:
4-tert-butyl-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Synonyms:
4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane;p-NCS-TBOB;p-Ncs-tbob;119963-45-0;CHEMBL38835;4-(t-Butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane;ACMC-20monh;DTXSID90152628;BDBM50011979;2,6,7-Trioxabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-1-(4-isothiocyanatophenyl)-;4-tert-Butyl-1-(4-isothiocyanato-phenyl)-2,6,7-trioxa-bicyclo[2.2.2]octane

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4-tert-butyl-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo[2.2.2]octane Basic Attributes

Molecular Weight：

305.4 g/mol

Exact Mass：

305.10856464 g/mol

DSSTox ID：

DTXSID90152628

Characteristics

PSA：

72.1 Å²

Drug Information

MeSH Entry Terms：

4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane

Computed Properties

Molecular Weight:305.4
XLogP3:4.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:305.10856464
Monoisotopic Mass:305.10856464
Topological Polar Surface Area:72.1
Heavy Atom Count:21
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-tert-butyl-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo[2.2.2]octane

Basic Attributes
Characteristics
Drug Information
Computed Properties

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