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CAS No.: | 13431-36-2 |
---|---|
Name: | 4-ISOPROPYL-3-THIOSEMICARBAZIDE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C4H11N3S |
Molecular Weight: | 133.217 |
Synonyms: | Semicarbazide,4-isopropyl-3-thio- (7CI,8CI);4-Isopropyl-3-thiosemicarbazide;4-Isopropylthiosemicarbazide;B 1132;N-(1-Methylethyl)hydrazinecarbothioamide; |
Density: | 1.098 g/cm3 |
Melting Point: | 96 °C |
Boiling Point: | 198.6 °C at 760 mmHg |
Flash Point: | 73.9 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 82.17000 |
LogP: | 1.21470 |
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The Hydrazinecarbothioamide,N-(1-methylethyl)-, with CAS registry number 13431-36-2, has the systematic name of N-(propan-2-yl)hydrazinecarbothioamide. Besides this, it is also called 4-Isopropyl-3-thiosemicarbazide. And the chemical formula of this chemical is C4H11N3S.
Physical properties of Hydrazinecarbothioamide,N-(1-methylethyl)-: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.65; (8)ACD/KOC (pH 7.4): 25.61; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 38.55 cm3; (15)Molar Volume: 121.2 cm3; (16)Polarizability: 15.28×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 43.48 kJ/mol; (21)Boiling Point: 198.6 °C at 760 mmHg; (22)Vapour Pressure: 0.356 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Hydrazinecarbothioamide,N-(1-methylethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(NC(C)C)NN
(2)InChI: InChI=1/C4H11N3S/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)
(3)InChIKey: WMFXGKCDSJXKHO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C4H11N3S/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)
(5)Std. InChIKey: WMFXGKCDSJXKHO-UHFFFAOYSA-N