phenylthiopropylamine
phenylthiopropylamine structure
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Common Name | phenylthiopropylamine | ||
|---|---|---|---|---|
| CAS Number | 2015-09-0 | Molecular Weight | 167.27100 | |
| Density | 1.06g/cm3 | Boiling Point | 271.4ºC at 760mmHg | |
| Molecular Formula | C9H13NS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 118ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide |
|---|---|
| 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 | 1.06g/cm3 |
|---|---|
| Boiling Point | 271.4ºC at 760mmHg |
| Molecular Formula | C9H13NS |
| Molecular Weight | 167.27100 |
| Flash Point | 118ºC |
| Exact Mass | 167.07700 |
| PSA | 51.32000 |
| LogP | 2.82780 |
| Vapour Pressure | 0.00645mmHg at 25°C |
| Index of Refraction | 1.579 |
| InChIKey | XJESCJCYQFZYDZ-UHFFFAOYSA-N |
| SMILES | NCCCSc1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
phenylthiopropy... CAS#:2015-09-0 |
| Literature: Toda, Jun; Niimura, Yoshihiro; Sano, Takehiro; Tsuda, Yoshisuke Heterocycles, 1998 , vol. 48, # 8 p. 1599 - 1607 |
|
~%
phenylthiopropy... CAS#:2015-09-0 |
| Literature: Boschelli, Diane H.; Connor, David T.; Lesch, Mark E.; Schrier, Denis J. Bioorganic and Medicinal Chemistry, 1996 , vol. 4, # 4 p. 557 - 562 |
|
~%
phenylthiopropy... CAS#:2015-09-0 |
| Literature: Boschelli, Diane H.; Connor, David T.; Lesch, Mark E.; Schrier, Denis J. Bioorganic and Medicinal Chemistry, 1996 , vol. 4, # 4 p. 557 - 562 |
|
~%
phenylthiopropy... CAS#:2015-09-0 |
| Literature: Wehrmeister,H.L. Journal of Organic Chemistry, 1963 , vol. 28, p. 2589 - 2591 |
|
~%
phenylthiopropy... CAS#:2015-09-0 |
| Literature: Lee; Son; Jung; Yoon; Park Synthetic Communications, 1995 , vol. 25, # 23 p. 3741 - 3746 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This 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: pKa (acid-base dissociation constant) as determined by Morgenthaler ref: ChemMedChem ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2449008
|
|
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
|
|
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
|
|
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| phenylthiopropylamine |
| 3-(phenylthio)-1-propanamine(SALTDATA: FREE) |
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 N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: SMILES notation of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is NCCCSc1ccccc1. |
| Q: What is the InChIKey of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: InChIKey of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is XJESCJCYQFZYDZ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: Polar surface area (PSA) of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is 51.32000. |
| Q: What is the LogP of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: LogP of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is 2.82780. |
| Q: What are the upstream materials of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: Related upstream materials(CAS) of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide: 5003-71-4;108-98-5;85053-10-7;14753-26-5. |
| Q: What is the CAS number of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: CAS number of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is 2015-09-0. |
| Q: What is the molecular weight of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: Molecular weight of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is 167.27100. |
| Q: What is the English name of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: The English name of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide. |
| Q: What is the Chinese name of 2015-09-0? |
| A: Chinese name of 2015-09-0 is 2015-09-0. |
| Q: What is the boiling point of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide? |
| A: Boiling point of N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazide is 271.4ºC at 760mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |