2-Mercapto-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-sulfide

CAS Registry Number®

697-45-0
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CAS Name

2-Mercapto-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-sulfide

Molecular Formula

C5H11O2PS2

Molecular Mass

198.24

Cite this Page

2-Mercapto-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-sulfide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=697-45-0 (retrieved 2024-08-15) (CAS RN: 697-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120 °C @ Press: 1.0 Torr

  • Melting Point (1)

    78 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C5H11O2PS2/c1-5(2)3-6-8(9,10)7-4-5/h3-4H2,1-2H3,(H,9,10)

InChIKey

InChIKey=MKSFKVXITRIJQB-UHFFFAOYSA-N

SMILES

CC1(C)COP(=S)(S)OC1

Canonical SMILES

S=P1(S)OCC(C)(C)CO1

Other Names for this Substance

  • 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide
  • Phosphorodithioic acid, cyclic O,O-(2,2-dimethyltrimethylene) ester
  • 1,3-Propanediol, 2,2-dimethyl-, cyclic O,O-ester with phosphorodithioic acid
  • 1,3-Propanediol, 2,2-dimethyl-, cyclic hydrogen phosphorodithioate
  • Cyclic O,O-(2,2-dimethyltrimethylene) phosphorodithioate

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Deleted or Replaced CAS Registry Numbers

77468-31-6