4-hydroxyphenylisothiocyanate
4-hydroxyphenylisothiocyanate structure
|
Common Name | 4-hydroxyphenylisothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 2131-60-4 | Molecular Weight | 151.18600 | |
| Density | 1.18 g/cm3 | Boiling Point | 305.5ºC at 760 mmHg | |
| Molecular Formula | C7H5NOS | Melting Point | 110 - 112ºC | |
| MSDS | N/A | Flash Point | 138.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-hydroxyphenylisothiocyanate |
|---|---|
| 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 | 1.18 g/cm3 |
|---|---|
| Boiling Point | 305.5ºC at 760 mmHg |
| Melting Point | 110 - 112ºC |
| Molecular Formula | C7H5NOS |
| Molecular Weight | 151.18600 |
| Flash Point | 138.6ºC |
| Exact Mass | 151.00900 |
| PSA | 64.68000 |
| LogP | 2.12650 |
| Vapour Pressure | 0.000453mmHg at 25°C |
| Index of Refraction | 1.599 |
| InChIKey | HIPHYBWWZWRZOV-UHFFFAOYSA-N |
| SMILES | Oc1ccc(N=C=S)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~93%
4-hydroxyphenyl... CAS#:2131-60-4 |
| Literature: Chaskar; Bandgar; Modhave; Patil; Yewale Synthetic Communications, 2009 , vol. 39, # 6 p. 992 - 1001 |
|
~67%
4-hydroxyphenyl... CAS#:2131-60-4 |
| Literature: Jamir, Latonglila; Alimenla; Kumar, Anil; Sinha, Dipak; Sinha, Upasana B. Synthetic Communications, 2011 , vol. 41, # 1 p. 147 - 155 |
|
~73%
4-hydroxyphenyl... CAS#:2131-60-4 |
| Literature: Park, Soobong; Hayes, Brittany L.; Marankan, Fatima; Mulhearn, Debbie C.; Wanna, Linda; Mesecar, Andrew D.; Santarsiero, Bernard D.; Johnson, Michael E.; Venton, Duane L. Journal of Medicinal Chemistry, 2003 , vol. 46, # 6 p. 936 - 953 |
|
~65%
4-hydroxyphenyl... CAS#:2131-60-4 |
| Literature: Narayanan, Narasimhachari; Patonay, Gabor Journal of Organic Chemistry, 1995 , vol. 60, # 8 p. 2391 - 2395 |
|
~%
4-hydroxyphenyl... CAS#:2131-60-4 |
| Literature: Wong, Rince; Dolman, Sarah J. Journal of Organic Chemistry, 2007 , vol. 72, # 10 p. 3969 - 3971 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Inhibition of DNP-HAS-stimulated mast cell degranulation in rat RBL-2H3 cells assesse...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4838290
|
|
Name: Drug metabolism in human BSMC cells assessed as intracellular H2S release by measurin...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4838289
|
|
Name: Drug metabolism in human BSMC cells assessed as intracellular H2S release by measurin...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4838288
|
|
Name: Bronchodilatory activity in human BSMC cells assessed as induction of membrane hyperp...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4838293
|
|
Name: Bronchodilatory activity in human BSMC cells assessed as induction of membrane hyperp...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4838292
|
|
Name: Inhibition of DNP-HAS-stimulated mast cell degranulation in rat RBL-2H3 cells assesse...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4838291
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| p-OH phenyl isothiocyanate |
| Phenol,4-isothiocyanato |
| 4-isothiocyanato-phenol |
| 4-Oxy-phenylisothiocyanat |
| p-Isothiocyanatophenol |
| 4-hydroxyphenyl isothiocyanate |
| p-hydroxyphenyl isothiocyanate |
| para-hydroxyphenyl isothiocyanate |
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 4-hydroxyphenylisothiocyanate? |
| A: SMILES notation of 4-hydroxyphenylisothiocyanate is Oc1ccc(N=C=S)cc1. |
| Q: What is the CAS number of 4-hydroxyphenylisothiocyanate? |
| A: CAS number of 4-hydroxyphenylisothiocyanate is 2131-60-4. |
| Q: What is the molecular weight of 4-hydroxyphenylisothiocyanate? |
| A: Molecular weight of 4-hydroxyphenylisothiocyanate is 151.18600. |
| Q: What is the polar surface area (PSA) of 4-hydroxyphenylisothiocyanate? |
| A: Polar surface area (PSA) of 4-hydroxyphenylisothiocyanate is 64.68000. |
| Q: What is the Chinese name of 2131-60-4? |
| A: Chinese name of 2131-60-4 is 2131-60-4. |
| Q: What is the English name of 4-hydroxyphenylisothiocyanate? |
| A: The English name of 4-hydroxyphenylisothiocyanate is 4-hydroxyphenylisothiocyanate. |
| Q: What English synonyms does 4-hydroxyphenylisothiocyanate have? |
| A: English synonyms of 4-hydroxyphenylisothiocyanate: p-OH phenyl isothiocyanate, Phenol,4-isothiocyanato, 4-isothiocyanato-phenol, 4-Oxy-phenylisothiocyanat, p-Isothiocyanatophenol, 4-hydroxyphenyl isothiocyanate, p-hydroxyphenyl isothiocyanate, para-hydroxyphenyl isothiocyanate. |
| Q: What is the molecular formula of 4-hydroxyphenylisothiocyanate? |
| A: Molecular formula of 4-hydroxyphenylisothiocyanate is C7H5NOS. |
| Q: What is the LogP of 4-hydroxyphenylisothiocyanate? |
| A: LogP of 4-hydroxyphenylisothiocyanate is 2.12650. |
| Q: What is the InChIKey of 4-hydroxyphenylisothiocyanate? |
| A: InChIKey of 4-hydroxyphenylisothiocyanate is HIPHYBWWZWRZOV-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |