(2H-1,3-Benzodioxol-5-yl)methanethiol

Base Information

Chemical Name:(2H-1,3-Benzodioxol-5-yl)methanethiol
CAS No.:34817-07-7
Molecular Formula:C₈H₈O₂S
Molecular Weight:168.216
Hs Code.:2932999099
DSSTox Substance ID:DTXSID50562340
Nikkaji Number:J1.439.442G
Mol file:34817-07-7.mol

Synonyms:34817-07-7;(2H-1,3-Benzodioxol-5-yl)methanethiol;1,3-Benzodioxole-5-methanethiol;1,3-benzodioxol-5-ylmethanethiol;SCHEMBL5815376;DTXSID50562340;(1,3-dioxaindan-5-yl)methanethiol;MFCD00068473;AKOS017515794;NS-01367;EN300-194163

Suppliers and Price of (2H-1,3-Benzodioxol-5-yl)methanethiol

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

TRC
2H-1,3-benzodioxol-5-ylmethanethiol
10mg
$ 65.00

American Custom Chemicals Corporation
3,4-METHYLENEDIOXYBENZYL MERCAPTAN 95.00%
5MG
$ 503.15

AK Scientific
(2H-1,3-Benzodioxol-5-yl)methanethiol
100mg
$ 398.00

Total 8 raw suppliers

Chemical Property of (2H-1,3-Benzodioxol-5-yl)methanethiol

Chemical Property:

Boiling Point:116-118 °C(Press: 5 Torr)
PKA:9.67±0.25(Predicted)
PSA：57.26000
Density:1.284±0.06 g/cm3(Predicted)
LogP:1.84510
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:168.02450067
Heavy Atom Count:11
Complexity:140

Purity/Quality:

98% ^*data from raw suppliers

2H-1,3-benzodioxol-5-ylmethanethiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)CS

Technology Process of (2H-1,3-Benzodioxol-5-yl)methanethiol

There total 4 articles about (2H-1,3-Benzodioxol-5-yl)methanethiol 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: 68.0%

: 495-76-1
piperonol

: 34817-07-7
Piperonylmercaptan

Guidance literature:: With polymer supported thiol; trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 0.25h;
DOI:10.1246/cl.2000.1304

Reference yield:

: 109698-46-6
bi-piperonyl sulfide

: 34817-07-7
Piperonylmercaptan

Guidance literature:: With acetic acid; zinc;

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 34817-07-7
Piperonylmercaptan

Guidance literature:: Multi-step reaction with 2 steps

1: alcoholic ammonium sulfide

2: zinc dust; glacial acetic acid

With ammonium sulfide; acetic acid; zinc;