 Home > Encyclopedia > O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate

O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate

O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate structure

CAS No:
38995-98-1
Formula:
C19H22N2O10S2
Chemical Name:
O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate
Synonyms:
38995-98-1;NSC185318;DTXSID00307006;NSC-185318;S-(2,4-Dinitrophenyl) O-[(2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl] carbonodithioate (non-preferred name)

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O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate Basic Attributes

Molecular Weight：

502.5 g/mol

Exact Mass：

502.07158725 g/mol

NSC Number：

185318

DSSTox ID：

DTXSID00307006

Characteristics

PSA：

204 Å²

Computed Properties

Molecular Weight:502.5
XLogP3:3.3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:502.07158725
Monoisotopic Mass:502.07158725
Topological Polar Surface Area:204
Heavy Atom Count:33
Complexity:800
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] (2,4-dinitrophenyl)sulfanylmethanethioate

Basic Attributes
Characteristics
Computed Properties
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