6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid structure
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Common Name | 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid | ||
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| CAS Number | 4649-06-3 | Molecular Weight | 247.33400 | |
| Density | N/A | Boiling Point | 417.6ºC at 760 mmHg | |
| Molecular Formula | C9H13NO3S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 206.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid |
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| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 417.6ºC at 760 mmHg |
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| Molecular Formula | C9H13NO3S2 |
| Molecular Weight | 247.33400 |
| Flash Point | 206.4ºC |
| Exact Mass | 247.03400 |
| PSA | 115.00000 |
| LogP | 1.42960 |
| InChIKey | IRBFCXHIPZRVJO-UHFFFAOYSA-N |
| SMILES | O=C(O)CCCCCN1C(=O)CSC1=S |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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6-(4-oxo-2-sulf... CAS#:4649-06-3 |
| Literature: Augustin,M.; Rudorf,W.-D. Journal fuer Praktische Chemie (Leipzig), 1974 , vol. 316, p. 520 - 524 |
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6-(4-oxo-2-sulf... CAS#:4649-06-3 |
| Literature: Bogolyubskaya,L.T. et al. Journal of Organic Chemistry USSR (English Translation), 1966 , vol. 2, p. 1311 - 1313 Zhurnal Organicheskoi Khimii, 1966 , vol. 2, p. 1315 - 1317 |
![Acetic acid,2,2'-[carbonothioylbis(thio)]bis structure](https://image.chemsrc.com/caspic/324/6326-83-6.png)
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Confirmed allosteric antagonists of M1 Muscarinic receptor
Source: 1043
Target: Muscarinic acetylcholine receptor M1
External Id: SAID_435034
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| F0307-0835 |
| 4-oxo-2-thioxo-3-thiazolidinehexanoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: SMILES notation of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is O=C(O)CCCCCN1C(=O)CSC1=S. |
| Q: What is the CAS number of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: CAS number of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is 4649-06-3. |
| Q: What is the LogP of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: LogP of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is 1.42960. |
| Q: What is the molecular formula of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: Molecular formula of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is C9H13NO3S2. |
| Q: What English synonyms does 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid have? |
| A: English synonyms of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid: F0307-0835, 4-oxo-2-thioxo-3-thiazolidinehexanoic acid. |
| Q: What is the molecular weight of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: Molecular weight of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is 247.33400. |
| Q: What is the English name of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: The English name of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid. |
| Q: What is the InChIKey of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: InChIKey of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is IRBFCXHIPZRVJO-UHFFFAOYSA-N. |
| Q: What is the boiling point of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: Boiling point of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is 417.6ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid? |
| A: Polar surface area (PSA) of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid is 115.00000. |