S-Phenylmercapturic Acid
S-Phenylmercapturic Acid structure
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Common Name | S-Phenylmercapturic Acid | ||
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| CAS Number | 4775-80-8 | Molecular Weight | 211.28100 | |
| Density | N/A | Boiling Point | 494.5ºC at 760 mmHg | |
| Molecular Formula | C10H13NO2S | Melting Point | 110-112ºC | |
| MSDS | Chinese USA | Flash Point | 252.9ºC | |
Use of S-Phenylmercapturic AcidS-Phenylmercapturic acid, a metabolite of benzene, can be used as a biomarker, identified by GC, HPLC (UV or fluorescence detection), GC-MS, LC-MS/MS or immunoassay[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | S-Phenylmercapturic Acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | S-Phenylmercapturic acid, a metabolite of benzene, can be used as a biomarker, identified by GC, HPLC (UV or fluorescence detection), GC-MS, LC-MS/MS or immunoassay[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 494.5ºC at 760 mmHg |
|---|---|
| Melting Point | 110-112ºC |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.28100 |
| Flash Point | 252.9ºC |
| Exact Mass | 211.06700 |
| PSA | 74.63000 |
| LogP | 1.84220 |
| InChIKey | CICOZWHZVMOPJS-JTQLQIEISA-N |
| SMILES | CC(=O)NC(CSc1ccccc1)C(=O)O |
| Storage condition | -20?C Freezer |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| RIDADR | NONH for all modes of transport |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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S-Phenylmercapt... CAS#:4775-80-8 |
| Literature: Hickman; Christie; Guy; White Australian Journal of Chemistry, 1985 , vol. 38, # 6 p. 899 - 904 |
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S-Phenylmercapt... CAS#:4775-80-8 |
| Literature: Zbarsky; Young Journal of Biological Chemistry, 1943 , vol. 151, p. 211,212 |
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S-Phenylmercapt... CAS#:4775-80-8 |
| Literature: Zbarsky; Young Journal of Biological Chemistry, 1943 , vol. 151, p. 211,212 |
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S-Phenylmercapt... CAS#:4775-80-8 |
| Literature: Zbarsky; Young Journal of Biological Chemistry, 1943 , vol. 151, p. 211,212 |
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S-Phenylmercapt... CAS#:4775-80-8 |
| Literature: Zbarsky; Young Journal of Biological Chemistry, 1943 , vol. 151, p. 211,212 |
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S-Phenylmercapt... CAS#:4775-80-8 |
| Literature: Baumann; Preusse Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1881 , vol. 5, p. 337 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
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| DownStream 2 | |
CAS#:5437-52-5
CAS#:64-19-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Influence of genetic polymorphism on t,t-MA/S-PMA ratio in 301 benzene exposed subjects.
Toxicol. Lett. 231(2) , 205-12, (2014) This study investigated the effect of polymorphic genes GSTT1, GSTM1, GSTA1, EHPX1, NQO1, CYP2E1, CYP1A and MPO on the urinary concentrations and ratio (R) of the benzene metabolites trans,trans-mucon... |
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Metabolic polymorphisms and biomarkers of effect in the biomonitoring of occupational exposure to low-levels of benzene: state of the art.
Toxicol. Lett. 231(2) , 194-204, (2014) Current levels of occupational exposure to benzene, a genotoxic human carcinogen, in Western countries are reduced by two-three orders of magnitude (from ppm to ppb) as compared to the past. However, ... |
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Urinary trans, trans-muconic acid and S-phenylmercapturic acid are indicative of exposure to urban benzene pollution during childhood.
Sci. Total Environ. 435-436 , 115-23, (2012) The aims of the study were to evaluate the feasibility of urinary trans, trans-muconic acid (u-t,t-MA) and urinary S-phenylmercapturic acid (u-SPMA) as markers of exposure to urban benzene pollution f... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| s-phenylmercapturic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of S-Phenylmercapturic Acid? |
| A: Boiling point of S-Phenylmercapturic Acid is 494.5ºC at 760 mmHg. |
| Q: What is the LogP of S-Phenylmercapturic Acid? |
| A: LogP of S-Phenylmercapturic Acid is 1.84220. |
| Q: What is the English name of S-Phenylmercapturic Acid? |
| A: The English name of S-Phenylmercapturic Acid is S-Phenylmercapturic Acid. |
| Q: What is the CAS number of S-Phenylmercapturic Acid? |
| A: CAS number of S-Phenylmercapturic Acid is 4775-80-8. |
| Q: What is the InChIKey of S-Phenylmercapturic Acid? |
| A: InChIKey of S-Phenylmercapturic Acid is CICOZWHZVMOPJS-JTQLQIEISA-N. |
| Q: What is the polar surface area (PSA) of S-Phenylmercapturic Acid? |
| A: Polar surface area (PSA) of S-Phenylmercapturic Acid is 74.63000. |
| Q: What are the storage conditions for S-Phenylmercapturic Acid? |
| A: Storage conditions for S-Phenylmercapturic Acid: -20?C Freezer. |
| Q: What are the downstream products of S-Phenylmercapturic Acid? |
| A: Related downstream products(CAS) of S-Phenylmercapturic Acid: 5437-52-5;64-19-7. |
| Q: What is the molecular formula of S-Phenylmercapturic Acid? |
| A: Molecular formula of S-Phenylmercapturic Acid is C10H13NO2S. |
| Q: What is the SMILES notation of S-Phenylmercapturic Acid? |
| A: SMILES notation of S-Phenylmercapturic Acid is CC(=O)NC(CSc1ccccc1)C(=O)O. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |