-
Name
(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-N-phenylhydrazinecarbothioamide
- EINECS
- CAS No. 31397-22-5
- Article Data2
- CAS DataBase
- Density 1.187g/cm3
- Solubility
- Melting Point
- Formula C13H14 N4 S
- Boiling Point 406.57°C at 760 mmHg
- Molecular Weight 258.347
- Flash Point 199.687°C
- Transport Information
- Appearance
- Safety A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pyrrole-2-carboxaldehyde,1-methyl-, 4-phenyl-3-thiosemicarbazone (8CI)
- PSA
- LogP
Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI) Chemical Properties
Molecular structure of Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI) (CAS NO.31397-22-5) is:
Product Name: Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI)
CAS Registry Number: 31397-22-5
IUPAC Name: 1-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylthiourea
Molecular Weight: 258.34206 [g/mol]
Molecular Formula: C13H14N4S
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor 1
Surface Tension: 44.262 dyne/cm
Density: 1.187 g/cm3
Flash Point: 199.687 °C
Enthalpy of Vaporization: 65.832 kJ/mol
Boiling Point: 406.57 °C at 760 mmHg
Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI) Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 3201ug/kg (3.201mg/kg) | Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 24, Pg. 822, 1989. |
Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI) Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI) Specification
Hydrazinecarbothioamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI) , its cas register number is 31397-22-5. It also can be called Semicarbazide, 1-((1-methyl-2-pyrrolyl)methylene)-4-phenyl-3-thio- ; 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylthiosemicarbazone .
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