CAS 136-23-2|ZINC DIBUTYLDITHIOCARBAMATE|zinc, ion (zn2+) bis((dibutylcarbamothioyl)sulfanide)|zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide)|zinc bis(dibutyldithiocarbamoyl)disulfide|dibutyldith...

General Information

Structure

Molecular Formula

C₁₈H₃₆N₂S₄Zn

Molecular Mass

474.13184

Exact Mass

472.10527516

Charge

InChI

InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2

InChIKey

BOXSVZNGTQTENJ-UHFFFAOYSA-L

Canonic Smiles

CCCCN(C(=S)[S-])CCCC.CCCCN(C(=S)[S-])CCCC.[Zn+2]

Isomeric Smiles

[Zn+2].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-]

Calculated Properties

JChem

LogD (pH = 7.4)

2.80

LogD (pH = 5.5)

2.80

Log P

3.94

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

2.00

Polar Surface Area

3.24

Polarizability

24.24

Molar Refractivity

64.01

LOG S

-3.97

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

ZINC DIBUTYLDITHIOCARBAMATEzinc dibutyldithiocarbamatezinc bis(dibutyldithiocarbamate)zinc bis(dibutyldithiocarbamoyl)disulphidedibutyldithiocarbamate zinc saltbis(dibutyldithiocarbamato)zinczinc bis(dibutylthiocarbamoyl)disulfide(T-4)-bis(dibutylcarbamodithioato-kappaS,kappaS')zinczinc bis(dibutyldithiocarbamoyl)disulfide

IUPAC Traditional name

zinc, ion (zn2+) bis((dibutylcarbamothioyl)sulfanide) zinc dibutyldithiocarbamate

IUPAC name

zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide) zinc(2+) bis((dibutylcarbamothioyl)sulfanide)

Names and Identifiers

Registration numbers

CAS Number

136-23-2

PubChem SID

16209679885343951

PubChem CID

5284483