Benzenecarbothioicacid, S-(phenylmethyl) ester
Benzenecarbothioicacid, S-(phenylmethyl) ester structure
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Common Name | Benzenecarbothioicacid, S-(phenylmethyl) ester | ||
|---|---|---|---|---|
| CAS Number | 13402-51-2 | Molecular Weight | 228.30900 | |
| Density | 1.167g/cm3 | Boiling Point | 341ºC at 760mmHg | |
| Molecular Formula | C14H12OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 146.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | S-benzyl benzenecarbothioate |
|---|---|
| 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.
| Density | 1.167g/cm3 |
|---|---|
| Boiling Point | 341ºC at 760mmHg |
| Molecular Formula | C14H12OS |
| Molecular Weight | 228.30900 |
| Flash Point | 146.5ºC |
| Exact Mass | 228.06100 |
| PSA | 42.37000 |
| LogP | 3.76020 |
| Vapour Pressure | 8.26E-05mmHg at 25°C |
| Index of Refraction | 1.62 |
| InChIKey | IXTYVGVNWHFZBK-UHFFFAOYSA-N |
| SMILES | O=C(SCc1ccccc1)c1ccccc1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
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| DownStream 10 | |
CAS#:100-51-6
CAS#:93-58-3
CAS#:766-92-7
CAS#:501-65-5
CAS#:150-60-7
CAS#:100-52-7
CAS#:100-53-8
CAS#:65-85-0
CAS#:92-52-4
CAS#:588-59-0This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: ULK1_INH_LUMI_1536_1X%INH PRUN
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Tibenzate |
| S-Benzyl benzothioate |
| benzyl benzothioate |
| Tibenzatum [INN-Latin] |
| Benzyl thiobenzoate |
| Tibenzato [INN-Spanish] |
| S-Benzyl thiobenzoate |
| thiobenzoic acid S-benzyl ester |
| (S)-benzyl benzenecarbothioate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of S-benzyl benzenecarbothioate? |
| A: Related downstream products(CAS) of S-benzyl benzenecarbothioate: 100-51-6;93-58-3;766-92-7;501-65-5;150-60-7;100-52-7;100-53-8;65-85-0;92-52-4;588-59-0. |
| Q: What is the SMILES notation of S-benzyl benzenecarbothioate? |
| A: SMILES notation of S-benzyl benzenecarbothioate is O=C(SCc1ccccc1)c1ccccc1. |
| Q: What is the Chinese name of 13402-51-2? |
| A: Chinese name of 13402-51-2 is 13402-51-2. |
| Q: What is the InChIKey of S-benzyl benzenecarbothioate? |
| A: InChIKey of S-benzyl benzenecarbothioate is IXTYVGVNWHFZBK-UHFFFAOYSA-N. |
| Q: What is the molecular weight of S-benzyl benzenecarbothioate? |
| A: Molecular weight of S-benzyl benzenecarbothioate is 228.30900. |
| Q: What is the CAS number of S-benzyl benzenecarbothioate? |
| A: CAS number of S-benzyl benzenecarbothioate is 13402-51-2. |
| Q: What is the polar surface area (PSA) of S-benzyl benzenecarbothioate? |
| A: Polar surface area (PSA) of S-benzyl benzenecarbothioate is 42.37000. |
| Q: What is the English name of S-benzyl benzenecarbothioate? |
| A: The English name of S-benzyl benzenecarbothioate is S-benzyl benzenecarbothioate. |
| Q: What is the LogP of S-benzyl benzenecarbothioate? |
| A: LogP of S-benzyl benzenecarbothioate is 3.76020. |
| Q: What is the boiling point of S-benzyl benzenecarbothioate? |
| A: Boiling point of S-benzyl benzenecarbothioate is 341ºC at 760mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |