2-Cyanoethanethioamide
2-Cyanoethanethioamide structure
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Common Name | 2-Cyanoethanethioamide | ||
|---|---|---|---|---|
| CAS Number | 7357-70-2 | Molecular Weight | 100.142 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 264.0±42.0 °C at 760 mmHg | |
| Molecular Formula | C3H4N2S | Melting Point | 118-120 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 113.4±27.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Cyanothioacetamide |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 264.0±42.0 °C at 760 mmHg |
| Melting Point | 118-120 °C(lit.) |
| Molecular Formula | C3H4N2S |
| Molecular Weight | 100.142 |
| Flash Point | 113.4±27.9 °C |
| Exact Mass | 100.009521 |
| PSA | 81.90000 |
| LogP | -0.78 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.581 |
| InChIKey | BHPYMZQTCPRLNR-UHFFFAOYSA-N |
| SMILES | N#CCC(N)=S |
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.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S37/39-S36/37/39 |
| RIDADR | UN 3439 6.1/PG 3 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~73%
2-Cyanoethaneth... CAS#:7357-70-2 |
| Literature: Yokoyama; Hasegawa; Hatanaka; et al. Synthesis, 1984 , vol. NO. 10, p. 827 - 829 |
|
~86%
2-Cyanoethaneth... CAS#:7357-70-2 |
| Literature: Dotsenko; Krivokolysko; Polovinko; Litvinov Chemistry of Heterocyclic Compounds, 2012 , vol. 48, # 2 p. 309 - 319 |
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~0%
2-Cyanoethaneth... CAS#:7357-70-2
Learn More
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| Literature: Liboska, Radek; Zyka, Daniel; Bobek, Miroslav Synthesis, 2002 , # 12 p. 1649 - 1651 |
|
~%
2-Cyanoethaneth... CAS#:7357-70-2 |
| Literature: Journal of the American Chemical Society, , vol. 80, p. 3924,3926 US2733260 , ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
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CAS#:182127-92-0This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Liebigs Ann. Chem. , 213, (1984)
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Liebigs Ann. Chem. , 210, (1986)
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3,4-trans-4-Aryl-3-(1-pyridinio)-1,2,3,4-tetrahydropyridine-6-thiolates--new group of potential cardiotonic drugs.
Eur. J. Med. Chem. 40(11) , 1163-7, (2005) 3,4-trans-4-Aryl-3-(1-pyridinio)-1,2,3,4-tetrahydropyridine-6-thiolates 6-11 were prepared by a Michael reaction of N-acetonylpyridinium chloride with 3-aryl-2-cyanothioacrylamides or by a one-pot thr... |
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: 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.
| 2-Cyanoethanethioamide |
| MFCD00010025 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-Cyanothioacetamide? |
| A: The English name of 2-Cyanothioacetamide is 2-Cyanothioacetamide. |
| Q: What is the SMILES notation of 2-Cyanothioacetamide? |
| A: SMILES notation of 2-Cyanothioacetamide is N#CCC(N)=S. |
| Q: What is the safety information for 2-Cyanothioacetamide? |
| A: Safety information for 2-Cyanothioacetamide: S26-S37/39-S36/37/39. |
| Q: What is the boiling point of 2-Cyanothioacetamide? |
| A: Boiling point of 2-Cyanothioacetamide is 264.0±42.0 °C at 760 mmHg. |
| Q: What is the LogP of 2-Cyanothioacetamide? |
| A: LogP of 2-Cyanothioacetamide is -0.78. |
| Q: What is the InChIKey of 2-Cyanothioacetamide? |
| A: InChIKey of 2-Cyanothioacetamide is BHPYMZQTCPRLNR-UHFFFAOYSA-N. |
| Q: What is the melting point of 2-Cyanothioacetamide? |
| A: Melting point of 2-Cyanothioacetamide is 118-120 °C(lit.). |
| Q: What is the polar surface area (PSA) of 2-Cyanothioacetamide? |
| A: Polar surface area (PSA) of 2-Cyanothioacetamide is 81.90000. |
| Q: What is the CAS number of 2-Cyanothioacetamide? |
| A: CAS number of 2-Cyanothioacetamide is 7357-70-2. |
| Q: What English synonyms does 2-Cyanothioacetamide have? |
| A: English synonyms of 2-Cyanothioacetamide: 2-Cyanoethanethioamide, MFCD00010025. |
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. |