CAS No.55310-46-8,DIBENZYLDITHIOCARBAMIC ACID SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55310-46-8
Name:	DIBENZYLDITHIOCARBAMIC ACID SODIUM SALT
Article Data:	12

Formula:	C₁₅H₁₄NNaS₂
Molecular Weight:	295.405
Synonyms:	Carbamodithioicacid, bis(phenylmethyl)-, sodium salt (9CI);Sodium dibenzyldithiocarbamate;Sodium N,N-dibenzyldithiocarbamate;Bis(phenylmethyl)-carbamodithioicacisodiumsalt;Dibenzylcarbamothioylsulfanylsodium;
EINECS:	259-587-9
Melting Point:	235 °C (dec.)(lit.)
Boiling Point:	408.3 °C at 760 mmHg
Flash Point:	200.8 °C
Solubility:	178.5g/L at 25℃
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	22-24/25
PSA:	35.33000
LogP:	3.52060

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Specification

The Carbamodithioic acid,N,N-bis(phenylmethyl)-, sodium salt (1:1), with the CAS registry number 55310-46-8, is also known as Bis(phenylmethyl)-carbamodithioicacisodiumsalt. Its EINECS number is 259-587-9. This chemical's molecular formula is C₁₅H₁₄NNaS₂ and molecular weight is 269.34. What's more, its systematic name is Dibenzylcarbamothioylsulfanylsodium. It is harmful if you swallow it. When using it, you should avoid it contacting with your skin and eyes and not breathe dust. Besides, the product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places.

Physical properties of Carbamodithioic acid,N,N-bis(phenylmethyl)-, sodium salt (1:1) 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)Polar Surface Area: 74.13 Å²; (13)Flash Point: 200.8 °C; (14)Enthalpy of Vaporization: 66.03 kJ/mol; (15)Boiling Point: 408.3 °C at 760 mmHg; (16)Vapour Pressure: 7.06E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Na+]
(2)InChI: InChI=1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1
(3)InChIKey: MYCPTMLDBVIIES-UHFFFAOYSA-M