2-(Chloromethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

CAS Registry Number®

728908-04-1
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CAS Name

2-(Chloromethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Molecular Formula

C12H13ClN2OS

Molecular Mass

268.76

Cite this Page

2-(Chloromethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=728908-04-1 (retrieved 2024-08-30) (CAS RN: 728908-04-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13ClN2OS/c1-6-2-3-7-8(4-6)17-12-10(7)11(16)14-9(5-13)15-12/h6H,2-5H2,1H3,(H,14,15,16)

InChIKey

InChIKey=JGLLKEGGYWYAEE-UHFFFAOYSA-N

SMILES

O=C1C=2C3=C(SC2NC(CCl)=N1)CC(C)CC3

Canonical SMILES

O=C1N=C(NC=2SC3=C(C12)CCC(C)C3)CCl

Other Names for this Substance

  • [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2-(chloromethyl)-5,6,7,8-tetrahydro-7-methyl-
  • 2-(Chloromethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
  • 2-(Chloromethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one