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Home > Encyclopedia > 2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid

2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid

2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid structure

2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid 

structure
  • CAS No:

    111811-14-4

  • Formula:

    C17H27NO5S2

  • Chemical Name:

    2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid

  • Synonyms:

    D-Glucitol,1-deoxy-1-((dithiocarboxy)((4-(1-methylethyl)phenyl)methyl)amino); N-Pbgd; 1-deoxy-1-{[4-(propan-2-yl)benzyl](sulfanylcarbothioyl)amino}hexitol; N-p-Isopropylbenzyl-D-glucamine dithiocarbamate; N-4-Isopropylbenzylglucamine dithiocarbamate;

2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid Basic Attributes

389.53000

389.13306531 g/mol

Characteristics

175.28000

0.26260

1.358g/cm3

630.4ºC at 760mmHg

335.1ºC

1.647

9.21E-17mmHg at 25°C

Drug Information

N-4-isopropylbenzylglucamine dithiocarbamate

Computed Properties

Molecular Weight:389.5
XLogP3:0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:389.13306531
Monoisotopic Mass:389.13306531
Topological Polar Surface Area:138
Heavy Atom Count:25
Complexity:405
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid

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