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CAS No.: | 32900-09-7 |
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Name: | 1-allyl-3-ethylthiourea |
Molecular Structure: | |
Formula: | C6H12N2S |
Molecular Weight: | 144.241 |
Synonyms: | Thiourea,N-ethyl-N'-2-propenyl- (9CI);Urea, 1-allyl-3-ethyl-2-thio- (8CI);NSC 148304; |
EINECS: | 251-286-0 |
Density: | 0.992 g/cm3 |
Boiling Point: | 190.1 °C at 760 mmHg |
Flash Point: | 68.7 °C |
PSA: | 56.15000 |
LogP: | 1.43820 |
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The Thiourea,N-ethyl-N'-2-propen-1-yl-, with the CAS registry number 32900-09-7, is also known as 1-Ethyl-3-prop-2-en-1-ylthiourea. Its EINECS registry number is 251-286-0. This chemical's molecular formula is C6H12N2S and molecular weight is 144.23788. What's more, its IUPAC name is 1-Ethyl-3-prop-2-enylthiourea.
Physical properties about Thiourea,N-ethyl-N'-2-propen-1-yl-: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 84.73; (8)ACD/KOC (pH 7.4): 84.73; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.05 cm3; (15)Molar Volume: 145.2 cm3; (16)Surface Tension: 38.6 dyne/cm; (17)Density: 0.992 g/cm3; (18)Flash Point: 68.7 °C; (19)Enthalpy of Vaporization: 42.63 kJ/mol; (20)Boiling Point: 190.1 °C at 760 mmHg; (21)Vapour Pressure: 0.552 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C(NC\C=C)NCC
(2) InChI: InChI=1/C6H12N2S/c1-3-5-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9)
(3) InChIKey: MMNIUSWSBKDYQT-UHFFFAOYAL