Cas no 935850-03-6 (4,5,6,7-tetrahydro-1,3-benzothiazol-7-one)

4,5,6,7-Tetrahydro-1,3-benzothiazol-7-one is a heterocyclic compound featuring a fused benzothiazole ring system with a ketone functional group at the 7-position. This structure imparts versatility in synthetic applications, particularly as a key intermediate in pharmaceuticals and agrochemicals. Its rigid bicyclic framework enhances stability, while the ketone moiety offers reactivity for further functionalization. The compound is valued for its role in constructing biologically active molecules, including potential inhibitors and ligands. High purity grades ensure consistent performance in research and industrial processes. Suitable for controlled reactions, it demonstrates compatibility with a range of reagents, making it a practical choice for advanced organic synthesis.

4,5,6,7-tetrahydro-1,3-benzothiazol-7-one structure

935850-03-6 structure

Product Name:4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

CAS No:935850-03-6

MF:C₇H₇NOS

MW:153.201580286026

MDL:MFCD15071684

CID:844603

PubChem ID:17879767

Update Time:2025-07-22

4,5,6,7-tetrahydro-1,3-benzothiazol-7-one Chemical and Physical Properties

Names and Identifiers

- 5,6-Dihydrobenzo[d]thiazol-7(4H)-one
- 5,6-dihydro-4H-1,3-benzothiazol-7-one
- 7(4H)-Benzothiazolone, 5,6-dihydro-
- 5891AC
- 4,5-Dihydrobenzothiazole-7(6H)-one
- MB14638
- 4,5,6,7-tetrahydrobenzothiazol-7-one
- 4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
- 5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE
- 5,6-Dihydro-7(4H)-benzothiazolone (ACI)
- C77218
- SY105786
- DTXSID80591446
- CS-0040558
- DS-12977
- AKOS011358689
- MFCD15071684
- 935850-03-6
- 5,6-Dihydrobenzothiazol-7(4H)-one
- SCHEMBL304637
- J-516536
- DB-079615
- EN300-814421
- MDL： MFCD15071684
- Inchi： 1S/C7H7NOS/c9-6-3-1-2-5-7(6)10-4-8-5/h4H,1-3H2
- InChI Key： RENBIQXXBKOXQC-UHFFFAOYSA-N
- SMILES： O=C1CCCC2=C1SC=N2

Computed Properties

Exact Mass: 153.02483502g/mol
Monoisotopic Mass: 153.02483502g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 10
Rotatable Bond Count: 0
Complexity: 160
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 58.2
XLogP3: 1.4

Experimental Properties

Density: 1.326
Boiling Point: 298.3°C at 760 mmHg
Flash Point: 134.2°C
Refractive Index: 1.602

4,5,6,7-tetrahydro-1,3-benzothiazol-7-one Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	D894217-1g	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	≥95%	1g	3,485.70	2021-05-17
Fluorochem	223627-250mg	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	95%	250mg	￡139.00	2022-02-28
Fluorochem	223627-1g	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	95%	1g	￡351.00	2022-02-28
Fluorochem	223627-5g	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	95%	5g	￡1049.00	2022-02-28
Fluorochem	223627-10g	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	95%	10g	￡1576.00	2022-02-28
Alichem	A059006397-1g	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	95%	1g	$448.38	2023-08-31
Alichem	A059006397-5g	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	95%	5g	$1294.38	2023-08-31
Alichem	A059006397-10g	5,6-Dihydrobenzo[d]thiazol-7(4H)-one	935850-03-6	95%	10g	$1984.32	2023-08-31
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-OX554-100mg	4,5,6,7-tetrahydro-1,3-benzothiazol-7-one	935850-03-6	95+%	100mg	842CNY	2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-OX554-5g	4,5,6,7-tetrahydro-1,3-benzothiazol-7-one	935850-03-6	95+%	5g	13944CNY	2021-05-08

4,5,6,7-tetrahydro-1,3-benzothiazol-7-one Production Method

Production Method 1

330203-55-9

935850-03-6

Reaction Conditions

1.1 Reagents: Acetic acid , Iron Solvents: Ethanol ; 40 h, reflux

Reference

: Synthesis of 8-piperidino-5,6-dihydro-4H-thiazolo[5,4-c]azepines and 8-amino-5,6-dihydro-4H-bis[1,3]thiazolo-[3,2-a: 5',4'-c]azepin-7-ium chlorides

Stepanov, D. E.; Ivanov, E. I.; Ivanova, R. Yu., Russian Journal of General Chemistry, 2006, 76(7), 1178-1180