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Diheptyl sulfide

Diheptyl sulfide structure

Diheptyl sulfide 

structure
  • CAS No:

    629-65-2

  • Formula:

    C14H30S

  • Chemical Name:

    Diheptyl sulfide

  • Synonyms:

    Heptane,1,1′-thiobis-;Heptyl sulfide;1,1′-Thiobis[heptane];Diheptyl sulfide;8-Thiapentadecane;Di-n-heptyl thioether;Di-n-heptyl sulfide;Diheptyl thioether;1-Heptylsulfanylheptane

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Diheptyl sulfide Basic Attributes

230.453

230.45

211-101-6

DTXSID3060879

Characteristics

25.30000

7.26

0.8407 g/cm3 @ Temp: 20 °C

70 °C

298 °C

148.9±12.3 °C

1.460

Safety Information

III

3

UN 3295 3/PG 3

3

R10:Flammable. R65:Harmful: May cause lung damage if swallowed.

S62

XT2500000

Xn

P273, P501

H413

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Diheptyl sulfide Use and Manufacturing

Heptane, 1,1'-thiobis-: INACTIVE

Computed Properties

Molecular Weight:230.46
XLogP3:6.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:12
Exact Mass:230.20682213
Monoisotopic Mass:230.20682213
Topological Polar Surface Area:25.3
Heavy Atom Count:15
Complexity:89.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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