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101993-01-5

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Basic Information
CAS No.: 101993-01-5
Name: 3-THIOPHENAMINE, TETRAHYDRO-
Article Data: 3
Molecular Structure:
Molecular Structure of 101993-01-5 (3-THIOPHENAMINE, TETRAHYDRO-)
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: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety: 26
PSA: 51.32000
LogP: 1.15090
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Specification

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