2,2′-Methylenebis[benzothiazole]

C15H10N2S2CAS 1945-78-4282.38 g/mol

Open in Covalent MOL file
SNSN

Properties

Molecular formula
C15H10N2S2
Molar mass
282.38 g/mol
Exact mass
282.0285 Da
Melting point
280 °C
logP
4.50Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1945-78-4
SMILES
c1ccc2sc(Cc3nc4ccccc4s3)nc2c1
InChIKey
ZRXNLCFJIKBZCA-UHFFFAOYSA-N
InChI
InChI=1S/C15H10N2S2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzothiazole, 2,2′-methylenebis-
  • 2,2′-Methylenebisbenzothiazole
  • Bis(2-benzothiazolyl)methane
  • 2-[(1,3-Benzothiazol-2-yl)methyl]-1,3-benzothiazole
  • 2-(1,3-Benzothiazol-2-ylmethyl)-1,3-benzothiazole
  • Benzothiazole, 2,2'-methylenebis-

Work with 2,2′-Methylenebis[benzothiazole]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Bromomethyl)-1,3-benzothiazole106086-78-668 % similar (1,3-Benzothiazol-2-yl)methanol37859-42-068 % similar 2-(Chloromethyl)benzothiazole37859-43-168 % similar 2-Benzothiazoleacetonitrile56278-50-363 % similar 2-Fluorobenzothiazole1123-98-452 % similar 2-Methylbenzothiazole120-75-252 % similar Accelerator DM120-78-552 % similar Mercaptobenzothiazole149-30-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook