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4166-00-1

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Basic Information
CAS No.: 4166-00-1
Name: 5-Thioxopyrrolidin-2-one
Article Data: 10
Molecular Structure:
Molecular Structure of 4166-00-1 (5-Thioxopyrrolidin-2-one)
Formula: C4H5NOS
Molecular Weight: 115.156
Synonyms: Monothio-bernsteinsaeure-imid;2-Pyrrolidinone,5-thioxo;Monothiosuccinimid;Thiosuccinimid;Thiosuccinimide;5-thioxo-pyrrolidin-2-one;Succinimide,thio;5-thioxo-2-pyrrolidinone;USAF WI-1;2-Thiosuccinimide;Monothiosuccinimide;
Density: 1.33g/cm3
Melting Point: 113°C
Boiling Point: 110°C
Safety: Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 64.68000
LogP: 0.49970
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Chemistry

IUPAC Name: 5-Sulfanylidenepyrrolidin-2-one
Synonyms of Monothiosuccinimide (CAS NO.4166-00-1): 2-Pyrrolidinone, 5-thioxo- ; 2-Thiosuccinimide ; Thiosuccinimide ; Succinimide, thio-
CAS NO: 4166-00-1
Molecular Formula: C4H5NOS
Molecular Weight : 115.1536
Molecular Structure:
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 52.4 Å2
Index of Refraction: 1.598
Molar Refractivity: 29.39 cm3
Molar Volume: 86 cm3
Surface Tension: 60.9 dyne/cm
Density: 1.33 g/cm3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD414-344,

Safety Profile

Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When Monothiosuccinimide (CAS NO.4166-00-1) is heated to decomposition, it emits very toxic fumes of NOx and SOx.