2-(Chloromethyl)-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile

CAS Registry Number®

731795-75-8
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CAS Name

2-(Chloromethyl)-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile

Molecular Formula

C13H12ClN3OS

Molecular Mass

293.77

Cite this Page

2-(Chloromethyl)-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=731795-75-8 (retrieved 2024-09-07) (CAS RN: 731795-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H12ClN3OS/c14-7-10-16-12-11(13(18)17(10)6-5-15)8-3-1-2-4-9(8)19-12/h1-4,6-7H2

InChIKey

InChIKey=WLEJEKHXZLCEPE-UHFFFAOYSA-N

SMILES

O=C1C=2C3=C(SC2N=C(CCl)N1CC#N)CCCC3

Canonical SMILES

N#CCN1C(=O)C2=C(N=C1CCl)SC3=C2CCCC3

Other Names for this Substance

  • [1]Benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile, 2-(chloromethyl)-5,6,7,8-tetrahydro-4-oxo-
  • 2-(Chloromethyl)-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile