Carbamodithioic acid,N,N-bis(phenylmethyl)-, sodium salt (1:1) supplier

Name
DIBENZYLDITHIOCARBAMIC ACID SODIUM SALT
EINECS 259-587-9
CAS No. 55310-46-8
Article Data12
CAS DataBase
Density
Solubility 178.5g/L at 25℃
Melting Point 235 °C (dec.)(lit.)
Formula C₁₅H₁₄NNaS₂
Boiling Point 408.3 °C at 760 mmHg
Molecular Weight 295.405
Flash Point 200.8 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamodithioicacid, bis(phenylmethyl)-, sodium salt (9CI);Sodium dibenzyldithiocarbamate;Sodium N,N-dibenzyldithiocarbamate;Bis(phenylmethyl)-carbamodithioicacisodiumsalt;Dibenzylcarbamothioylsulfanylsodium;
PSA 35.33000
LogP 3.52060

Carbamodithioic acid,N,N-bis(phenylmethyl)-, sodium salt (1:1) 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

Product Name

DIBENZYLDITHIOCARBAMIC ACID SODIUM SALT

Carbamodithioic acid,N,N-bis(phenylmethyl)-, sodium salt (1:1) Specification

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