Diisopropyl 1,3-dithiol-2-ylidenemalonate | CAS No. 59937-28-9

Diisopropyl 1,3-dithiol-2-ylidenemalonate

Basic Information

CAS Number

59937-28-9

Molecular Formula

C12H16O4S2

Molecular Weight

288.39 g/mol

AD

Basic Physical Properties

Melting Point

59.0 to 63.0 deg-C

Boiling Point

321.5°C at 760 mmHg

Density

1.3727 (rough estimate)

Flash Point

138.7±15.9 °C

Solubility

Soluble in DMSO (58 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), and ethanol (58 mg/ml at 25 °C).

Refractive Index

1.4950 (estimate)

CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C

InChI

InChI=1S/C12H16O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h5-8H,1-4H3

InChIKey

YPIQVCUJEKAZCP-UHFFFAOYSA-N

LogP

3.0524000000000013

Topological Polar Surface Area

52.60000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

363

Safety Information

View Safety Information

GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • NKK 105
  • CS-1594
  • Malotilate [USAN:INN:JAN]
  • Diisopropyl (1,3-Dithiol-2-ylidene)malonate
  • Kantec (TN)
  • AS-11770
  • Tox21 112214
  • AB01566806_01
  • Tox21_112214_1
  • MALOTILATE [INN]
  • s1137
  • BM164653
  • NCGC00164588-03
  • DTXCID5026463
  • 1,3-Dithiol-2-ylidenepropanedioic acid, bis(1-methylethyl) ester
  • F10956
  • Diisopropyl-1,3-dithiol-2-ylidenemalonate
  • Hepation
  • NS00055095
  • CAS-59937-28-9
  • MFCD00867646
  • NKK-105
  • MALOTILATE [JAN]
  • malotilate
  • Malotilate (JAN/USAN/INN)
  • SW219173-1
  • (1,3-Dithiol-2-ylidene)malonic Acid Diisopropyl Ester
  • Malotilato [INN-Spanish]
  • EINECS 261-987-3
  • UNII-RV59PND975
  • MALOTILATE [MI]

MDL Number

MFCD00867646

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