chempirical

2-Mercaptobenzoxazole

C7H5NOSCAS 2382-96-9151.18 g/mol

Open in Covalent MOL file
HSNO
Thiol

Properties

Molecular formula
C7H5NOS
Molar mass
151.18 g/mol
Exact mass
151.0092 Da
Melting point
196 °C
logP
2.12Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
2382-96-9
SMILES
Sc1nc2ccccc2o1
InChIKey
FLFWJIBUZQARMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)

Weigh it out

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

Names and synonyms

19 names · show all
  • 2(3H)-Benzoxazolethione
  • 2-Benzoxazolethiol
  • 2-Benzoxazolinethione
  • Benzoxazole, 2-mercapto-
  • Benzoxazolinethione
  • 2-Mercapto-1,3-benzoxazole
  • 2-Benzoxazolethione
  • 2-Benzoxazolylthiol
  • 2,3-Dihydrobenzoxazole-2-thione
  • 1,3-Benzoxazole-2(3H)-thione
  • 1,3-Benzoxazoline-2-thione
  • NSC 209084
  • NSC 2128
  • 1,3-Benzoxazole-2-thiol
  • MBO
  • 3H-Benzoxazole-2-thione
  • Benzo[d]oxazole-2-thiol
  • 2,3-Dihydro-1,3-benzoxazole-2-thione
  • 2-Mercaptobenzo[d]oxazole

Work with 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

5-Chloro-2-mercaptobenzoxazole22876-19-353 % similar 6-Chloro-2-mercaptobenzoxazole22876-20-653 % similar 2(3H)-Benzoxazolone59-49-452 % similar 2-Chlorobenzoxazole615-18-952 % similar 2-Methylbenzoxazole95-21-652 % similar 2-Phenylbenzoxazole833-50-150 % similar 1-(1,3-Benzoxazol-2-yl)methanamine101333-98-647 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-547 % similar

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

Same formula

Thieno(3,2-b)pyridin-7-ol107818-20-2 Benzisothiazolinone2634-33-5 2-Benzothiazolinone934-34-9

Elsewhere

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