Cas no 304861-41-4 (Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate)
Methyl 4-[(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate is a specialized organic compound featuring a thiazole core with a mercapto group and a conjugated ester-functionalized benzene ring. Its structure combines reactivity from the thiol moiety and the electron-withdrawing ester group, making it valuable in synthetic chemistry for constructing heterocyclic frameworks or serving as a precursor in pharmaceutical and materials science applications. The α,β-unsaturated carbonyl system within the thiazole ring enhances its utility in nucleophilic addition or cyclization reactions. This compound is particularly noted for its potential in designing bioactive molecules due to the pharmacophoric thiazole scaffold. Proper handling under inert conditions is recommended due to the reactive thiol group.
304861-41-4 structure
Product Name:Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate
CAS No:304861-41-4
MF:C12H9NO3S2
MW:279.334760427475
MDL:MFCD04969052
CID:299618
PubChem ID:1204563
Update Time:2025-10-19
Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- (E)-Methyl 4-((2-mercapto-4-oxothiazol-5(4H)-ylidene)methyl)benzoate
- AKOS B018350
- Benzoic acid,4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-, methyl ester
- METHYL 4-[(E)-(2-MERCAPTO-4-OXO-1,3-THIAZOL-5(4H)-YLIDENE)METHYL]BENZOATE
- Albb-009129
- ART-CHEM-BB B018350
- CHEMBRDG-BB 3018350
- methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate(SALTDATA: FREE)
- METHYL 4-{[(5E)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE
- Methyl4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate
- MFCD04969052
- 304861-41-4
- SR-01000106542
- AKOS000409252
- SR-01000106542-1
- methyl 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
- Benzoic acid, 4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-, methyl ester
- AKOS000307393
- Z44301555
- Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate
-
- MDL： MFCD04969052
- Inchi： 1S/C12H9NO3S2/c1-16-11(15)8-4-2-7(3-5-8)6-9-10(14)13-12(17)18-9/h2-6H,1H3,(H,13,14,17)/b9-6+
- InChI Key： JGFXKXPPIIPAFJ-RMKNXTFCSA-N
- SMILES： S1C(NC(/C/1=C\C1C=CC(C(=O)OC)=CC=1)=O)=S
Computed Properties
- Exact Mass: 279.00200
- Monoisotopic Mass: 279.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 412
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 113?2
Experimental Properties
- Density: 1.47
- Boiling Point: 442.8°C at 760 mmHg
- Flash Point: 221.6°C
- Refractive Index: 1.694
- PSA: 119.83000
- LogP: 1.80890
Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate Security Information
- HazardClass：IRRITANT
Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate Customs Data
- HS CODE：2934100090
- Customs Data：
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A059005979-10g |
(E)-Methyl 4-((2-mercapto-4-oxothiazol-5(4H)-ylidene)methyl)benzoate |
304861-41-4 | 95% | 10g |
$445.50 | 2023-09-02 | |
| Matrix Scientific | 040153-500mg |
Methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate |
304861-41-4 | 500mg |
$76.00 | 2023-09-05 | ||
| TRC | M333388-50mg |
Methyl 4-[(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate |
304861-41-4 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M333388-100mg |
Methyl 4-[(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate |
304861-41-4 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M333388-500mg |
Methyl 4-[(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate |
304861-41-4 | 500mg |
$ 115.00 | 2022-06-03 | ||
| eNovation Chemicals LLC | Y1258538-5g |
Benzoic acid, 4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-, methyl ester |
304861-41-4 | 95% | 5g |
$475 | 2025-02-19 | |
| eNovation Chemicals LLC | Y1258538-1g |
Benzoic acid, 4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-, methyl ester |
304861-41-4 | 95% | 1g |
$165 | 2025-02-19 | |
| A2B Chem LLC | AB40152-1g |
Methyl 4-[(e)-(2-mercapto-4-oxo-1,3-thiazol-5(4h)-ylidene)methyl]benzoate |
304861-41-4 | 95% | 1g |
$87.00 | 2024-04-20 | |
| A2B Chem LLC | AB40152-5g |
Methyl 4-[(e)-(2-mercapto-4-oxo-1,3-thiazol-5(4h)-ylidene)methyl]benzoate |
304861-41-4 | 95% | 5g |
$318.00 | 2024-04-20 | |
| Ambeed | A295615-5g |
(E)-Methyl 4-((2-mercapto-4-oxothiazol-5(4H)-ylidene)methyl)benzoate |
304861-41-4 | 95+% | 5g |
$254.0 | 2024-04-20 |
Methyl 4-(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methylbenzoate Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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