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591-08-2

591-08-2 structural image
Product Name: N-ACETYLTHIOUREA
Formula: C3H6N2OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1-acetyl-2-thiourea is a white crystalline solid. Noncombustible, but decomposes with heating.
Color/Form PRISMS FROM WATER; RHOMBIC CRYSTALS FROM ALCOHOL
Melting Point 329 to 336 °F (NTP, 1992)
Solubility SOL IN DILUTE SODIUM HYDROXIDE, HOT WATER; SLIGHTLY SOL IN WATER, ETHER
Vapor Pressure 0.000372 [mmHg]
Decomposition When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/.
Chemical Classes Nitrogen Compounds -> Thiourea Compounds

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P309:IF exposed or if you feel unwell:
P310:Immediately call a POISON CENTER or doctor/physician.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 118.16 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 118.02008399 g/mol
Monoisotopic Mass 118.02008399 g/mol
Topological Polar Surface Area 87.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 101
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-acetyl-2-thiourea is a white crystalline solid. Noncombustible, but decomposes with heating.