Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride
Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride structure
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Common Name | Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride | ||
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| CAS Number | 4357-96-4 | Molecular Weight | 247.70200 | |
| Density | 1.44g/cm3 | Boiling Point | 387.7ºC at 760 mmHg | |
| Molecular Formula | C8H10ClN3O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 188.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (4-nitrophenyl)methyl carbamimidothioate,hydrochloride |
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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.
| Density | 1.44g/cm3 |
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| Boiling Point | 387.7ºC at 760 mmHg |
| Molecular Formula | C8H10ClN3O2S |
| Molecular Weight | 247.70200 |
| Flash Point | 188.3ºC |
| Exact Mass | 247.01800 |
| PSA | 120.99000 |
| LogP | 3.84670 |
| Index of Refraction | 1.662 |
| InChIKey | XLXMUFLBCRDKMJ-UHFFFAOYSA-N |
| SMILES | Cl.N=C(N)SCc1ccc([N+](=O)[O-])cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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 presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~86%
Pseudourea, 2-(... CAS#:4357-96-4 |
| Literature: Barker, Courtney A.; Allison, Sarah E.; Zlitni, Soumaya; Nguyen, Nick Duc; Das, Rahul; Melacini, Giuseppe; Capretta, Alfredo A.; Brown, Eric D. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 8 p. 2426 - 2431 |
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~%
Pseudourea, 2-(... CAS#:4357-96-4 |
| Literature: Lee, Ikchoon; Kang, Han Keun; Lee, Hai Whang Journal of the American Chemical Society, 1987 , vol. 109, # 24 p. 7472 - 7477 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 3 | |
CAS#:4025-75-6
CAS#:6310-10-7![Disulfide,bis[(4-nitrophenyl)methyl] structure](https://image.chemsrc.com/caspic/149/39549-05-8.png)
CAS#:39549-05-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
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| 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: 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: Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition ...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL1225450
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Name: Inhibition of indoleamine-2,3-dioxygenase
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL1225449
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-nitrobenzyl carbamimidothioate hydrochloride(1:1) |
| 4-nitrobenzyl imidothiocarbamate hydrochloride |
| 2-(p-Nitrobenzyl)-2-thiopseudourea monohydrochloride |
| USAF PD-23 |
| S-(4-nitro-benzyl)-isothiourea,hydrochloride |
| Pseudourea,2-(p-nitrobenzyl)thio-,hydrochloride |
| S-(4-Nitro-benzyl)-isothioharnstoff,Hydrochlorid |
| Pseudourea,2-(p-nitrobenzyl)-2-thio-,hydrochloride |
| S-(4-Nitro-benzyl)-isothiuronium-chlorid |
| 2-(4-nitrobenzyl)-2-thiopseudourea hydrochloride |
| 4-Nitrobenzyl thiopseudourea hydrochloride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: Related upstream materials(CAS) of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride: 100-14-1;619-73-8. |
| Q: What is the SMILES notation of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: SMILES notation of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride is Cl.N=C(N)SCc1ccc([N+](=O)[O-])cc1. |
| Q: What is the InChIKey of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: InChIKey of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride is XLXMUFLBCRDKMJ-UHFFFAOYSA-N. |
| Q: What is the molecular formula of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: Molecular formula of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride is C8H10ClN3O2S. |
| Q: What is the Chinese name of 4357-96-4? |
| A: Chinese name of 4357-96-4 is 4357-96-4. |
| Q: What is the LogP of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: LogP of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride is 3.84670. |
| Q: What are the downstream products of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: Related downstream products(CAS) of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride: 4025-75-6;6310-10-7;39549-05-8. |
| Q: What is the polar surface area (PSA) of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: Polar surface area (PSA) of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride is 120.99000. |
| Q: What is the molecular weight of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: Molecular weight of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride is 247.70200. |
| Q: What is the boiling point of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride? |
| A: Boiling point of (4-nitrophenyl)methyl carbamimidothioate,hydrochloride is 387.7ºC at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |