Dothiepin sulfoxide

CAS Registry Number®

1447-71-8

CAS Name

Dothiepin sulfoxide

Molecular Formula

C19H21NOS

Molecular Mass

311.44

Cite this Page

Dothiepin sulfoxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1447-71-8 (retrieved 2024-11-22) (CAS RN: 1447-71-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H21NOS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3

InChIKey

InChIKey=NBNPVRZHUPMVQS-UHFFFAOYSA-N

SMILES

C(CCN(C)C)=C1C=2C(S(=O)CC=3C1=CC=CC3)=CC=CC2

Canonical SMILES

O=S1C=2C=CC=CC2C(=CCCN(C)C)C=3C=CC=CC3C1

Other Names for this Substance

  • 1-Propanamine, N,N-dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11(6H)-ylidene)-
  • Dibenzo[b,e]thiepin-Δ11(6H),γ-propylamine, N,N-dimethyl-, 5-oxide
  • 1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-, S-oxide
  • Dibenzo[b,e]thiepin, 1-propanamine deriv.
  • N,N-Dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11(6H)-ylidene)-1-propanamine

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