N-(Tetrahydro-2-oxo-3-thienyl)-acetamide supplier

Name
N-(Tetrahydro-2-oxo-3-thienyl)-acetamide
EINECS 214-793-8
CAS No. 1195-16-0
Article Data7
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point 109-111 °C
Formula C₆H₉NO₂S
Boiling Point 427.265 °C at 760 mmHg
Molecular Weight 159.209
Flash Point 212.202 °C
Transport Information UN 2811 6.1/PG 3
Appearance
Safety 22-24/25-45-36-26
Risk Codes 25-36/37/38
Molecular Structure
Hazard Symbols T,Xi
Synonyms DL-3-(Acetylamino)tetrahydro-2-thiophenone;DL-N-Acetylhomocysteinethiolactone;N-(Tetrahydro-2-oxo-3-thienyl)acetamide;N-Acetyl-DL-homocysteinethiolactone;N-Acetylhomocysteine thiolactone;NSC 22878;Thioxidrene;a-Acetamido-g-thiobutyrolactone;Butyricacid, 2-acetamido-4-mercapto-, g-(thio lactone) (6CI);2-Acetamido-4-mercaptobutyric acid thiolactone;AHCTL;BO 714;Citiolase;Citiolone;
PSA 71.47000
LogP 0.54550

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide Consensus Reports

Reported in EPA TSCA Inventory.

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide Specification

The N-(Tetrahydro-2-oxo-3-thienyl)-acetamide with CAS registry number of 1195-16-0 is also known as N-Acetylhomocysteine thiolactone. The IUPAC name is N-(2-Oxothiolan-3-yl)acetamide. Its EINECS registry number is 214-793-8. In addition, the formula is C₆H₉NO₂S and the molecular weight is 159.21.

Physical properties about N-(Tetrahydro-2-oxo-3-thienyl)-acetamide are: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.74; (8)ACD/KOC (pH 7.4): 8.74; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.68Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 39.65 cm³; (15)Molar Volume: 126 cm³; (16)Polarizability: 15.72×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 212.2 °C; (20)Enthalpy of Vaporization: 68.22 kJ/mol; (21)Boiling Point: 427.3 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-07 mmHg at 25 °C

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it's toxic if swallowed. During using it, wear suitable protective clothing. Besides, do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell seek or accident happens medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=O)NC1CCSC1=O
2. InChI: InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
3. InChIKey: NRFJZTXWLKPZAV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	1200mg/kg (1200mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 72, 1958.
rat	LD50	intraperitoneal	1950mg/kg (1950mg/kg)		"Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 362, 1989.

Product Name

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide Consensus Reports

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide Specification

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