3,3′-Thiodipropionitrile
Properties
- Molecular formula
- C6H8N2S
- Molar mass
- 140.20 g/mol
- Exact mass
- 140.0408 Da
- Density
- 1.24 g/mL
- Melting point
- 24–25 °C
- Boiling point
- 179–180 °C (at 3 Torr)
- logP
- 1.55Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
111-97-7SMILES
N#CCCSCCC#NInChIKey
NDVLTZFQVDXFAN-UHFFFAOYSA-NInChI
InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- Propanenitrile, 3,3′-thiobis-
- Propionitrile, 3,3′-thiodi-
- 3,3′-Thiobis[propanenitrile]
- Di(2-cyanoethyl) sulfide
- β,β′-Dicyanodiethyl sulfide
- Bis(2-cyanoethyl) sulfide
- Thiodipropionitrile
- 2-Cyanoethyl sulfide
- β,β′-Thiodipropionitrile
- NSC 2040
- NSC 39638
- NSC 46434
- 4-Thia-1,7-heptanedinitrile
- 3-[(2-Cyanoethyl)sulfanyl]propanenitrile
- 3,3′-Thiodipropiononitrile
- Beta,beta'-Thiodipropionitrile
Work with 3,3′-Thiodipropionitrile
Similar compounds
Succinonitrile110-61-253 % similar
Tris(cyanoethyl)phosphine4023-53-447 % similar
Adiponitrile111-69-347 % similar
Glutaronitrile544-13-847 % similar
Nonanedinitrile1675-69-044 % similar
Sebaconitrile1871-96-144 % similar
Dodecanedinitrile4543-66-244 % similar
Octanedinitrile629-40-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.