chempirical

6-Chloro-2-mercaptobenzoxazole

C7H4ClNOSCAS 22876-20-6185.63 g/mol

Open in Covalent MOL file
HSNClO
Aryl halideThiol

Properties

Molecular formula
C7H4ClNOS
Molar mass
185.63 g/mol
Exact mass
184.9702 Da
Melting point
224–225 °C
logP
2.77Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
22876-20-6
SMILES
Sc1nc2ccc(Cl)cc2o1
InChIKey
HAASPZUBSZGCKU-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11)

Weigh it out

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

Names and synonyms

8 names
  • 2(3H)-Benzoxazolethione, 6-chloro-
  • 2-Benzoxazolinethione, 6-chloro-
  • 6-Chloro-2(3H)-benzoxazolethione
  • 6-Chloro-2-thioxobenzoxazoline
  • 6-Chloro-2-benzoxazolinethione
  • 6-Chloro-1,3-benzoxazole-2-thiol
  • 6-Chlorobenzoxazole-2-thiol
  • 6-Chloro-2-mercaptobenzo[d]oxazole

Work with 6-Chloro-2-mercaptobenzoxazole

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

2,6-Dichlorobenzoxazole3621-82-763 % similar 6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-459 % similar 2-Mercaptobenzoxazole2382-96-953 % similar 5-Chloro-2-methylbenzoxazole19219-99-942 % similar 5-Chloro-2-mercaptobenzimidazole25369-78-242 % similar Chlorzoxazone95-25-042 % similar 5-Chloro-2-mercaptobenzothiazole5331-91-938 % similar 5-Chlorobenzoxazole17200-29-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Chloro-2(3H)-benzothiazolone20600-44-6 5-Chloro-2-mercaptobenzoxazole22876-19-3 4-Chloro-2(3H)-benzothiazolone39205-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook