1,4-Thiazepan-5-one

Base Information

Chemical Name:1,4-Thiazepan-5-one
CAS No.:2896-98-2
Molecular Formula:C5H9NOS
Molecular Weight:131.1961
Hs Code.:
European Community (EC) Number:803-435-1
NSC Number:144313
DSSTox Substance ID:DTXSID40301568
Wikidata:Q82045673
Mol file:2896-98-2.mol

Synonyms:1,4-thiazepan-5-one;2896-98-2;Tetrahydro-1,4-thiazepan-5-one;1,4-Thiazepin-5(2H)-one,tetrahydro-;1,4-Thiazepin-5(2H)-one, tetrahydro-;NSC144313;[1,4]Thiazepan-5-one;SCHEMBL4240098;hexahydro-1,4-thiazepin-5-one;DTXSID40301568;YBUWZZKYXPWDGO-UHFFFAOYSA-N;MFCD11111966;AKOS006306167;DS-9195;NSC-144313;CS-0045647;FT-0686113;Tetrahydro-1,4-thiazepan-5-one, AldrichCPR;EN300-152333;W16383;A898335;J-524853;F2147-1376;Z1198315286

Suppliers and Price of 1,4-Thiazepan-5-one

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
1,4-thiazepan-5-one
100mg
$ 65.00

TRC
1,4-thiazepan-5-one
50mg
$ 45.00

Sigma-Aldrich
Tetrahydro-1,4-thiazepan-5-one Aldrich
1g
$ 1110.00

Matrix Scientific
Tetrahydro-1,4-thiazepan-5-one 98%
500mg
$ 857.00

Matrix Scientific
Tetrahydro-1,4-thiazepan-5-one 98%
250mg
$ 605.00

Matrix Scientific
Tetrahydro-1,4-thiazepan-5-one 98%
1g
$ 1479.00

Crysdot
Tetrahydro-1,4-thiazepan-5-one 95+%
1g
$ 158.00

Chemenu
1,4-Thiazepan-5-one 95%
1g
$ 163.00

Chemenu
1,4-Thiazepan-5-one 95%
5g
$ 449.00

Chemcia Scientific
[1,4]Thiazepan-5-one 95%
1 G
$ 360.00

Total 17 raw suppliers

Chemical Property of 1,4-Thiazepan-5-one

Chemical Property:

Vapor Pressure:5.4E-05mmHg at 25°C
Melting Point:113-114 °C
Refractive Index:1.509
Boiling Point:347.4 °C at 760 mmHg
PKA:15.80±0.20(Predicted)
Flash Point:163.9 °C
PSA：54.40000
Density:1.129 g/cm³
LogP:0.56830
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:131.04048508
Heavy Atom Count:8
Complexity:94.4

Purity/Quality:

97% ^*data from raw suppliers

1,4-thiazepan-5-one ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25-52
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSCCNC1=O
Uses 1,4-Thiazepan-5-one can be used for combination therapy of hepatitis B infections.

Technology Process of 1,4-Thiazepan-5-one

There total 2 articles about 1,4-Thiazepan-5-one 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:

: 1369959-37-4
C₃₁H₂₀O₇

: 60-23-1
Cysteamine

: 2896-98-2
perhydro-1,4-thiazepin-5-one

: 2-(10-hydroxy-3-phenylaminomethyl-3H-benzo[c]xanthen-7-yl)benzoic acid

Guidance literature:: In methanol; at 20 ℃; for 2h;
DOI:10.1039/c2ob25178g

Reference yield:

: 1362772-43-7
C₁₇H₁₃NO₃S

: 60-23-1
Cysteamine

: 2896-98-2
perhydro-1,4-thiazepin-5-one

: 6265-93-6
2-(2′-hydroxy-3′-methoxyphenyl)benzothiazole

Guidance literature:: In ethanol; pH=7.4; aq. phosphate buffer; Irradiation;
DOI:10.1002/anie.201103759

Reference yield: 73.0%

: 2896-98-2
perhydro-1,4-thiazepin-5-one

: 3-((((9H-fluoren-9-yl)methoxy)carbonyl)(benzyl)amino)propanoyl chloride

: 8-benzyl-1-thia-4,8-diazacycloundecane-5,9-dione

Guidance literature:: perhydro-1,4-thiazepin-5-one; With pyridine; dmap; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

3-((((9H-fluoren-9-yl)methoxy)carbonyl)(benzyl)amino)propanoyl chloride; In dichloromethane; at 50 ℃; Inert atmosphere;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃;
DOI:10.1002/chem.202002164