2,2'-Dibenzothiazyl disulfide - Materials / Alfa Chemistry

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2,2'-Dibenzothiazyl disulfide

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Catalog Number

ACMA00016661

Product Name

2,2'-Dibenzothiazyl disulfide

Category

Polymers

Description

2,2'-dithiobisbenzothiazole is a cream to light yellow powder. (NTP, 1992);DryPowder; DryPowder, PelletsLargeCrystals; OtherSolid; PelletsLargeCrystals;YELLOW POWDER WITH CHARACTERISTIC ODOUR.

IUPAC Name

2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole

Molecular Weight

332.5g/mol

Molecular Formula

C14H8N2S4;C14H8N2S4

Canonical SMILES

C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H

InChI Key

AFZSMODLJJCVPP-UHFFFAOYSA-N

Melting Point

334 °F (NTP, 1992);180.0 °C;180 °C;180 °C

Flash Point

518 °F (NTP, 1992);257 °C

Density

1.54 (NTP, 1992);1.50;Density (at 20 °C): 1.5 g/cm³

Solubility

less than 0.1 mg/mL at 70° F (NTP, 1992);3.01e-05 M;INSOLUBLE IN WATER; AT 25 °C LESS THAN 0.5 G/100 ML ACETONE OR BENZENE, 0.2 G/100 ML CARBON TETRACHLORIDE, 0.5 G/100 ML NAPHTHA, 0.2 G/100 ML ALCOHOL, 0.2 G/100 ML ETHER; SOMEWHAT MORE SOL IN CHLOROFORM THAN CARBON TETRACHLORIDE;In water, <10mg/L;Solubility in water: very poor

Color/Form

PALE YELLOW NEEDLES FROM BENZENE;FREE-FLOWING POWDER;Cream to off-white powder or pellets

Complexity

311

Covalently-Bonded Unit Count

EC Number

204-424-9;244-961-6

Exact Mass

331.957033g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0505

Log P

4.5

MeSH Entry Terms

2,2-dithio-bis-benzothiazole;2-mercaptobenzothiazole disulfide;Altax;dibenzothiazyl disulfide;dibenzthiazyl disulfide;dibenzthiazyl disulphide;MBTS disulfide

Monoisotopic Mass

331.957033g/mol

NSC Number

677459;2

Odor

ODORLESS

Other Experimental

MP: 168 °C MIN /COMMERCIAL PRODUCT/

Rotatable Bond Count

RTECS Number

DL4550000

UNII