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| CAS No.: | 7357-70-2 |
|---|---|
| Name: | 2-Cyanothioacetamide |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H4N2S |
| Molecular Weight: | 100.144 |
| Synonyms: | Acetamide,2-cyanothio- (6CI,7CI,8CI);(Thiocarbamoyl)acetonitrile;Cyanothioacetamide;NSC 53405;a-Cyanothioacetamide;Ethanethioamide,2-cyano-; |
| Density: | 1.25 g/cm3 |
| Melting Point: | 118-120 °C(lit.) |
| Boiling Point: | 264 °C at 760 mmHg |
| Flash Point: | 113.4 °C |
| Solubility: | Does not mix well with water. |
| Appearance: | beige to brown needles or powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39-36/37/39-36 |
| Transport Information: | UN 3439 6.1/PG 3 |
| PSA: | 81.90000 |
| LogP: | 0.88648 |
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Chemistry
Molecular Structure of 2-Cyanothioacetamide (CAS NO.7357-70-2):
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IUPAC Name: 2-Cyanoethanethioamide
Canonical SMILES: C(C#N)C(=S)N
InChI: InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey: BHPYMZQTCPRLNR-UHFFFAOYSA-N
Molecular Weight: 100.14226 [g/mol]
Molecular Formula: C3H4N2S
XLogP3-AA: -0.4
H-Bond Donor: 1
H-Bond Acceptor: 1
Index of Refraction: 1.58
Molar Refractivity: 26.68 cm3
Molar Volume: 80.1 cm3
Surface Tension: 74.5 dyne/cm
Density: 1.25 g/cm3
Flash Point: 113.4 °C
Enthalpy of Vaporization: 50.18 kJ/mol
Boiling Point: 264 °C at 760 mmHg
Vapour Pressure: 0.00998 mmHg at 25 °C
Appearance: beige to brown needles or powder
Melting Point: 118-120 °C(lit.)
Sensitive: Light Sensitive
Product Categories: Organic Building Blocks; Sulfur Compounds; Thiocarbonyl Compounds
Uses
2-Cyanothioacetamide (CAS NO.7357-70-2) is used as a pharmaceutical intermediate.
Safety Profile
Safety Information of 2-Cyanothioacetamide (CAS NO.7357-70-2):
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36/37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36:Wear suitable protective clothing.
RIDADR: UN 3439 6.1/PG 3
WGK Germany: 3
Hazard Note: Harmful/Light Sensitive
HazardClass: 6.1
PackingGroup: III
Specification
2-Cyanothioacetamide (CAS NO.7357-70-2), its Synonyms are Ethanethioamide, 2-cyano- ; Acetamide,2-cyanothio- (6CI,7CI,8CI) ; (Thiocarbamoyl)acetonitrile ; 2-Cyanoethanethioamide ; Cyanothioacetamide .