3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile

Base Information

Chemical Name:3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile
CAS No.:5275-11-6
Molecular Formula:C₁₀H₁₀N₂S₂
Molecular Weight:222.335
Hs Code.:2930909090
NSC Number:269621
UNII:DW78HM3N4L
DSSTox Substance ID:DTXSID90200734
Nikkaji Number:J1.411.554D
Wikidata:Q83073900
ChEMBL ID:CHEMBL3392068
Mol file:5275-11-6.mol

Synonyms:5275-11-6;3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile;NSC269621;3-amino-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromene-4-carbonitrile;DW78HM3N4L;3-amino-1-sulfanylidene-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile;MLS000054211;NSC-269621;SMR000061949;3-amino-1-thioxo-5,6,7,8-tetrahydroisothiochromene-4-carbonitrile;3-Amino-5,6,7,8-tetrahydro-1-thioxo-1H-2-benzothiopyran-4-carbonitrile;UNII-DW78HM3N4L;3-AMINO-4-CYANO-5,6,7,8-TETRAHYDRO-1H-2-BENZOTHIOPYRAN-1-THIONE;cid_712660;SCHEMBL2614831;CHEMBL3392068;BDBM50813;DTXSID90200734;ZTVYCPUACCAUGH-UHFFFAOYSA-N;HMS1612L03;HMS2181A15;CCG-43829;MFCD00128756;STK803192;1H-2-benzothiopyran-4-carbonitrile, 3-amino-5,6,7,8-tetrahydro-1-thioxo-;AKOS000274761;NSC 269621;CS-0271663;FT-0768393;SR-01000479832;SR-01000479832-1;SR-01000479832-2;BRD-K48003957-001-07-1;Z56870623;F1488-0004;1H-2-Benzothiopyran-4-carbonitrile, 5,6,7,8-tetrahydro-3-amino-1-thioxo-;2-THIOISOCOUMARIN, 3-AMINO-4-CYANO-5,6,7,8-TETRAHYDRO-1-THIO-;3-amino-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-4-carbonitrile;3-amino-1-thioxo-5,6,7,8-tetrahydro-1h-isothio chromene-4-carbonitrile;3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile #;3-azanyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromene-4-carbonitrile;1H-Benzo[c]thiopyran-4-carbonitrile, 5,6,7,8-tetrahydro-3-amino-1-thioxo-

Suppliers and Price of 3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile

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

Matrix Scientific
3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile
1g
$ 300.00

Matrix Scientific
3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile
0.500g
$ 240.00

Matrix Scientific
3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile
5g
$ 1000.00

American Custom Chemicals Corporation
3-AMINO-4-CYANO-5,6,7,8-TETRAHYDRO-1H-2-BENZOTHIOPYRAN-1-THIONE 95.00%
1G
$ 636.34

Total 2 raw suppliers

Chemical Property of 3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile

Chemical Property:

Vapor Pressure:2.08E-08mmHg at 25°C
Boiling Point:453.4°Cat760mmHg
Flash Point:228°C
PSA：110.14000
Density:1.39g/cm³
LogP:3.39148
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:222.02854067
Heavy Atom Count:14
Complexity:409

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=C(C1)C(=C(SC2=S)N)C#N

Technology Process of 3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile

There total 3 articles about 3-Amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile 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: 87.0%

: 75-15-0,12122-00-8
carbon disulfide

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 109-77-3
malononitrile

: 5275-11-6
3-amino-1-thioxo-2(1H)-5,6,7,8-tetrahydro-benzothiopyran-4-carbonitrile

Guidance literature:: cyclohexanone; malononitrile; With sodium ethanolate; at 20 ℃; for 2h; Ionic liquid;

carbon disulfide; Ionic liquid;
DOI:10.1080/10426507.2011.601776