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Name |
4H-Cycloheptathiazol-2-amine,5,6,7,8-tetrahydro- |
EINECS | N/A |
CAS No. | 14292-44-5 | Density | 1.21 g/cm3 |
PSA | 67.15000 | LogP | 2.57540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12N2S | Boiling Point | 330.7 °C at 760 mmHg |
Molecular Weight | 168.2593 | Flash Point | 153.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4,5,6,7,8-Pentahydrocyclohepta[1,2-d]1,3-thiazole-2-ylamine; |
Article Data | 9 |
The 4H-Cycloheptathiazol-2-amine,5,6,7,8-tetrahydro-, with the CAS registry number of 14292-44-5, is also known as 4,5,6,7,8-Pentahydrocyclohepta[1,2-d]1,3-thiazole-2-ylamine. Its molecular formula is C8H12N2S and molecular weight is 168.2593. What's more, its IUPAC name is 5,6,7,8-Tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine.
Physical properties about the 4H-Cycloheptathiazol-2-amine,5,6,7,8-tetrahydro- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 49.86; (7)ACD/KOC (pH 5.5): 44.26; (8)ACD/KOC (pH 7.4): 545.36; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 48.36 cm3; (15)Molar Volume: 138.9 cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Density: 1.21 g/cm3; (18)Flash Point: 153.8 °C; (19)Enthalpy of Vaporization: 57.33 kJ/mol; (20)Boiling Point: 330.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000163 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c2c(sc1N)CCCCC2
(2) InChI: InChI=1/C8H12N2S/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2,(H2,9,10)
(3) InChIKey: RTUODTFOELDCNI-UHFFFAOYAZ