2-Mercapto-4(3H)-quinazolinone

CAS Registry Number®

13906-09-7

CAS Name

2-Mercapto-4(3H)-quinazolinone

Molecular Formula

C8H6N2OS

Molecular Mass

178.21

Cite this Page

2-Mercapto-4(3H)-quinazolinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13906-09-7 (retrieved 2024-11-24) (CAS RN: 13906-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    315-316 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

InChIKey

InChIKey=PUPFOFVEHDNUJU-UHFFFAOYSA-N

SMILES

O=C1C=2C(NC(=S)N1)=CC=CC2

Canonical SMILES

O=C1NC(=S)NC=2C=CC=CC12

Other Names for this Substance

  • 4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-
  • 2,4(1H,3H)-Quinazolinedione, 2-thio-
  • 2,3-Dihydro-2-thioxo-4(1H)-quinazolinone
  • 2-Thio-4-oxo-1,2,3,4-tetrahydroquinazoline
  • 2-Thio-2,4(1H,3H)-quinazolinedione

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Deleted or Replaced CAS Registry Numbers

16431-28-0

CAS INSIGHTSTM
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