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CAS No.: | 101993-01-5 |
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Name: | 3-THIOPHENAMINE, TETRAHYDRO- |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H9NS |
Molecular Weight: | 103.188 |
Synonyms: | Tetrahydro-3-thiopheneamine;Tetrahydrothiophen-3-amine; |
Density: | 1.077 g/cm3 |
Boiling Point: | 170.8 °C at 760 mmHg |
Flash Point: | 57.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26 |
PSA: | 51.32000 |
LogP: | 1.15090 |
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The Tetrahydrothien-3-ylamine with the cas number 101993-01-5 is also called 3-Thiophenamine,tetrahydro-. Its molecular formula is C4H9NS. The product category is variousamine. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the chemical are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.91; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.54 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 30.16 cm3; (15)Molar Volume: 95.7 cm3; (16)Polarizability: 11.95×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Enthalpy of Vaporization: 40.72 kJ/mol; (19)Vapour Pressure: 1.44 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S1CCC(N)C1
(2)InChI: InChI=1/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2
(3)InChIKey: GBNRIMMKLMTDLW-UHFFFAOYAS