2-Benzoxazolemethanethiol

Base Information

Chemical Name:2-Benzoxazolemethanethiol
CAS No.:152298-09-4
Molecular Formula:C8H7NOS
Molecular Weight:165.216
Hs Code.:
DSSTox Substance ID:DTXSID30475984
Nikkaji Number:J1.910.708F
Wikidata:Q82306835
Mol file:152298-09-4.mol

Synonyms:2-Benzoxazolemethanethiol;152298-09-4;benzo[d]oxazol-2-ylmethanethiol;1,3-BENZOXAZOL-2-YLMETHANETHIOL;(1,3-benzoxazol-2-yl)methanethiol;SCHEMBL9147178;DTXSID30475984

Suppliers and Price of 2-Benzoxazolemethanethiol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-Benzoxazolemethanethiol

Chemical Property:

PSA：64.83000
LogP:2.25760
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.02483502
Heavy Atom Count:11
Complexity:142

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=C(O2)CS

Technology Process of 2-Benzoxazolemethanethiol

There total 3 articles about 2-Benzoxazolemethanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

: S-(benzo[d]oxazol-2-ylmethyl) ethanethioate

: 152298-09-4
benzo[d]oxazol-2-ylmethanethiol

Guidance literature:: With potassium carbonate; In methanol; water; at 20 ℃; for 2h;

Reference yield: 40.0%

: 41014-43-1
2-(chloromethyl)benzoxazole

: 152298-09-4
benzo[d]oxazol-2-ylmethanethiol

Guidance literature:: With sodium trithiocarbonate; In water; at 20 ℃; for 1.5h;
DOI:10.1081/SCC-120018752

Reference yield:

: 95-55-6
2-amino-phenol

: 152298-09-4
benzo[d]oxazol-2-ylmethanethiol

Guidance literature:: Multi-step reaction with 3 steps

1.1: 5,5-dimethyl-1,3-cyclohexadiene / 0.5 h / 0 °C

1.2: 3 h / Reflux

2.1: acetone / 1 h / 60 °C

3.1: potassium carbonate / methanol; water / 2 h / 20 °C

With potassium carbonate; In methanol; 5,5-dimethyl-1,3-cyclohexadiene; water; acetone;