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Home > Encyclopedia > 4,4'-Thiodibenzenethiol

4,4'-Thiodibenzenethiol

4,4'-Thiodibenzenethiol structure

4,4'-Thiodibenzenethiol 

structure
  • CAS No:

    19362-77-7

  • Formula:

    C12H10S3

  • Chemical Name:

    4,4'-Thiodibenzenethiol

  • Synonyms:

    4,4'-Thiobisbenzenethiol 98%;4,4'-THIODIBENZENETHIOL;4,4'-THIOBISBENZENETHIOL;BIS(4-MERCAPTOPHENYL) SULFIDE;Thiobisbenzenethiol;4,4''-THIOBIS-BENZENTHIOL;4,4-THIOBISBENZENETHIOL, 98+%;BENZENETHIOL,4,4''-THIOBIS

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

4,4'-Thiodibenzenethiol Basic Attributes

250.4

249.994461

DTXSID50347255

2930909090

Characteristics

27.3

4.4

1.30±0.1 g/cm3(Predicted)

112-114 °C(lit.)

148 °C / 12mmHg

214.6±24.6 °C

1.710

Safety Information

NONH for all modes of transport

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,4'-Thiodibenzenethiol Use and Manufacturing

4,4'-Thiobisbenzenethiol acts as a reducing agent, and affects the catalytic activity of caspase-3 protein.

Computed Properties

Molecular Weight:250.4
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:249.99446384
Monoisotopic Mass:249.99446384
Topological Polar Surface Area:27.3
Heavy Atom Count:15
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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