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Zinc,bis[N,N-bis(phenylmethyl)carbamodithioato-kS,kS']-, (T-4)-(CAS No. 14726-36-4)

Zinc,bis[N,N-bis(phenylmethyl)carbamodithioato-kS,kS']-, (T-4)- C30H28N2S4Zn (cas 14726-36-4) Molecular Structure

14726-36-4 Structure

Identification and Related Records

【Name】
Zinc,bis[N,N-bis(phenylmethyl)carbamodithioato-kS,kS']-, (T-4)-
【CAS Registry number】
14726-36-4
【Synonyms】
Zinc,bis(dibenzyldithiocarbamato)- (7CI,8CI)
Zinc,bis[bis(phenylmethyl)carbamodithioato-kS,kS']-, (T-4)- (9CI)
(N,N-Dibenzyldithiocarbamato)zinc
Arazate
Bis(dibenzyldithiocarbamato)zinc
Nocceler ZTC
Rhenogran ZBEC70
Vulkacit ZBEC
ZBEC
【EINECS(EC#)】
238-778-0
【Molecular Formula】
C30H28N2S4Zn (Products with the same molecular formula)
【Molecular Weight】
610.19
【Inchi】
InChI=1/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2
【Canonical SMILES】
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Zn+2]
【MOL File】
14726-36-4.mol

Chemical and Physical Properties

【Appearance】
white to off-white powder
【Density】
g/cm3
【Melting Point】
183-188℃
【Boiling Point】
408.3°Cat760mmHg
【Vapour】
7.06E-07mmHg at 25°C
【Flash Point】
200.8°C
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:610.22572 [g/mol]
Molecular Formula:C30H28N2S4Zn
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:8
Exact Mass:608.042678
MonoIsotopic Mass:608.042678
Topological Polar Surface Area:72.7
Heavy Atom Count:37
Formal Charge:0
Complexity:230
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3

Safety and Handling

【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Specification】

The Zinc dibenzyldithiocarbamate , with cas registry number of 14726-36-4, also has other registry numbers including 137427-50-0, 138-54-5, 56803-46-4. It has other synonyms like Dibenzyldithiocarbamic acid zinc salt ; Zinc bis(N,N-dibenzyldithiocarbamate) . Its IUPAC name is called zinc N,N-dibenzylcarbamodithioate . The systematic name is named as zinc bis(dibenzylcarbamodithioate) . It belongs to the categories of (1)Organometallics; (2)Classes of Metal Compounds; (3)Transition Metal Compounds; (4)Zn (Zinc) Compounds.

Physical properties of Zinc dibenzyldithiocarbamate are: (1) ACD/LogP: 4.25 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 1.55 ; (4) ACD/LogD (pH 7.4): 0.55 ; (5) ACD/BCF (pH 5.5): 2 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 9.78 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 1 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 4 ; (12) Enthalpy of Vaporization: 66.03 kJ/mol ; (13) Vapour Pressure: 7.06E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Zinc dibenzyldithiocarbamate irritates to eyes, respiratory system and skin. During use it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES:[Zn+2].[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2.[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2 ;
(2)InChI:InChI=1/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2 ;
(3)InChIKey:AUMBZPPBWALQRO-NUQVWONBAQ

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