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CAS No.: | 71058-32-7 |
---|---|
Name: | 4-(3-METHOXYPROPYL)-3-THIOSEMICARBAZIDE |
Molecular Structure: | |
Formula: | C5H13N3OS |
Molecular Weight: | 163.244 |
Synonyms: | 4-(3-Methoxypropyl)-3-thiosemicarbazide; |
Density: | 1.135 g/cm3 |
Melting Point: | 37-40 °C |
Boiling Point: | 257.4 °C at 760 mmHg |
Flash Point: | 109.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 91.40000 |
LogP: | 0.84280 |
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The Hydrazinecarbothioamide,N-(3-methoxypropyl)-, with the CAS registry number 71058-32-7, is also known as 4-(3-Methoxypropyl)-3-thiosemicarbazide. This chemical's molecular formula is C5H13N3OS and molecular weight is 163.24. What's more, its IUPAC name is 1-Amino-3-(3-methoxypropyl)thiourea.
Physical properties about Hydrazinecarbothioamide,N-(3-methoxypropyl)- are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.34; (8)ACD/KOC (pH 7.4): 11.32; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.04 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 44.97 cm3; (15)Molar Volume: 143.7 cm3; (16)Polarizability: 17.82×10-24 cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.135 g/cm3; (19)Flash Point: 109.5 °C; (20)Enthalpy of Vaporization: 49.49 kJ/mol; (21)Boiling Point: 257.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0146 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(NCCCOC)NN
(2)InChI: InChI=1/C5H13N3OS/c1-9-4-2-3-7-5(10)8-6/h2-4,6H2,1H3,(H2,7,8,10)
(3)InChIKey: FNQQONLDFCKUTC-UHFFFAOYAQ