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Substance Name: Thiobarbituric acid
RN: 504-17-6
UNII: M1YZW5SS7C
InChIKey: RVBUGGBMJDPOST-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-N2-O2-S

Molecular Weight

  • 144.1536
 
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Names and Synonyms

Name of Substance

  • Thiobarbituric acid

Synonyms

  • 2-Mercapto-4,6-dihydroxypyrimidine (VAN)
  • 2-Mercaptobarbituric acid
  • 2-Thio-4,6-dioxypyrimidine
  • 2-Thiobarbituric acid
  • 4,6(1H,5H)-Pyrimidinedione, 2-mercapto-
  • 4,6-Dihydroxy-2-thiopyrimidine
  • AI3-60340
  • Austranal
  • Bathyran
  • Dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
  • EINECS 207-985-8
  • NSC 4733
  • Thiobarbituric acid
  • UNII-M1YZW5SS7C
  • USAF EK-660

Systematic Names

  • 2-Thiobarbituric acid
  • 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-
  • Barbituric acid, 2-thio-
  • Barbituric acid, 2-thio- (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 504-17-6

FDA UNII

  • M1YZW5SS7C

Other Registry Numbers

  • 1049677-34-0
  • 1076199-44-4
  • 1116339-76-4
  • 118738-55-9
  • 121477-82-5
  • 122508-78-5
  • 1228272-12-5
  • 1236029-05-2
  • 124558-04-9
  • 1256721-97-7
  • 1262632-60-9
  • 126660-87-5
  • 127726-79-8
  • 1287678-13-0
  • 1313510-54-1
  • 1356834-57-5
  • 136771-68-1
  • 1369625-13-7
  • 1393847-12-5
  • 145783-11-5
  • 148021-12-9
  • 157796-99-1
  • 5525-79-1
  • 5658-01-5
  • 709611-98-3
  • 773866-14-1
  • 863970-61-0
  • 878388-18-2
  • 886365-65-7
  • 91759-32-9
  • 924832-30-4
  • 956086-95-6

Related Registry Number

  • 31645-12-2 (mono-hydrochloride salt)

System Generated Number

  • 0000504176

Structure Descriptors

InChI

1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

InChIKey

RVBUGGBMJDPOST-UHFFFAOYSA-N

Smiles

C1(CC(NC(N1)=S)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 4650mg/kg (4650mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(5), Pg. 50, 1981.
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 unreported 829mg/kg (829mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(5), Pg. 50, 1981.
rat LD50 oral > 5gm/kg (5000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(5), Pg. 50, 1981.
rat LD50 unreported 5060mg/kg (5060mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(5), Pg. 50, 1981.