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2(3H)-Thiophenone,3-aminodihydro- (14007-10-4)

Identification
Name:2(3H)-Thiophenone,3-aminodihydro-
CAS:14007-10-4
Molecular Formula: C4H7 N O S
Molecular Weight: 117.17
InChI: InChI=1/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
Molecular Structure: (C4H7NOS) Butyricacid, 2-amino-4-mercapto-, g-(thio lactone) (6CI); (2-Oxotetrahydrothiophen-3-yl)amine; (?à)...
Properties
Flash Point: 107.3°C
Boiling Point: 253.8°Cat760mmHg
Density:1.269g/cm3
Specification:

The 3-Aminodihydrothiophen-2-one with its cas register number is 14007-10-4. It also can be called as Homocysteine thiolactone and the IUPAC Name about this chemical is 3-aminothiolan-2-one.

Physical properties about 3-Aminodihydrothiophen-2-one are: (1)ACD/LogP: -0.42; (2)ACD/LogD (pH 5.5): -2.37; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.39; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.61Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 30.29 cm3; (14)Molar Volume: 92.2 cm3; (15)Polarizability: 12x10-24cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Enthalpy of Vaporization: 49.12 kJ/mol; (18)Vapour Pressure: 0.0179 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CSC(=O)C1N
(2)InChI: InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
(3)InChIKey: KIWQWJKWBHZMDT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 848mg/kg (848mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 284, 1971.

Flash Point: 107.3°C
Storage Temperature: 2-8°C
Safety Data