Cas no 13331-30-1 (Naphtho[2,3-d]thiazole-2(3H)-thione)

Naphtho[2,3-d]thiazole-2(3H)-thione structure
13331-30-1 structure
Product Name:Naphtho[2,3-d]thiazole-2(3H)-thione
CAS No:13331-30-1
MF:C11H7NS2
MW:217.3099796772
CID:119490
PubChem ID:12617509
Update Time:2025-04-18

Naphtho[2,3-d]thiazole-2(3H)-thione Chemical and Physical Properties

Names and Identifiers

    • Naphtho[2,3-d]thiazole-2(3H)-thione
    • 3H-benzo[f][1,3]benzothiazole-2-thione
    • Naphtho[2,3-d]thiazole-2(3H)-thione (9CI)
    • 13331-30-1
    • DTXSID40504496
    • Naphtho[2,3-d][1,3]thiazole-2(3H)-thione
    • SCHEMBL11780399
    • Inchi: 1S/C11H7NS2/c13-11-12-9-5-7-3-1-2-4-8(7)6-10(9)14-11/h1-6H,(H,12,13)
    • InChI Key: IHUDAVOKNKHDNA-UHFFFAOYSA-N
    • SMILES: S1C(NC2C=C3C=CC=CC3=CC1=2)=S

Computed Properties

  • Exact Mass: 217.00211
  • Monoisotopic Mass: 217.00199157g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 69.4?2

Experimental Properties

  • PSA: 12.03
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