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Dothiepin

CAS Registry Number®

113-53-1

CAS Name

Dothiepin

Molecular Formula

C19H21NS

Molecular Mass

295.44

Cite this Page

Dothiepin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113-53-1 (retrieved 2024-11-25) (CAS RN: 113-53-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    171-172 °C

  • Melting Point (1)

    55-57 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3

InChIKey

InChIKey=PHTUQLWOUWZIMZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

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