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CAS Number: 6336-50-1
6-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Structure

6-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Name: 6-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Synonyms:
General Information
Product Number: 6336501

CAS Registry Number 6336-50-1
Name:
4(1H)?-?Pyrimidinone, 2,?3-?dihydro-?6-?(phenylmethyl)?-?2-?thioxo-
Uracil, 6-benzyl-2-thio- (6CI,7CI,8CI)
2,3-Dihydro-6-(phenylmethyl)-2-thioxo-4(1H)-pyrimidinone
6-Benzyl-2-thiouracil
Basdene
Bentiuracil

 

Chemical Formula: C11H10N2OS
Exact Mass: 218.05
Molecular Weight: 218.27
m/z: 218.05 (100.0%), 219.05 (13.4%), 220.05 (4.7%)

 

InChI:InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)

InChI Key:PNXBXCRWXNESOV-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2

 

Thermal Properties Value Condition Note
Melting Point 273 °C   (4)CAS
Melting Point 223-224 °C Solv: water (7732-18-5) (5)CAS
Melting Point 222-223 °C   (6)CAS
Melting Point 221-224 °C   (7)CAS
Melting Point 216-219 °C   (8)CAS
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (4) GB 959807 1964 CAPLUS
  2. (5) Anderson, George W.; Journal of the American Chemical Society 1945, V67, P2197-2200 CAPLUS
  3. (6) Johnson, Treat B.; Journal of the American Chemical Society 1938, V60, P2941-4 CAPLUS
  4. (7) Parlato, Maria cristina; ARKIVOC (Gainesville, FL, United States) 2004, (5), P349-363 CAPLUS
  5. (8) Sonn, Adolf; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1933, V66B, P1512-20 CAPLUS
  6. (9) Simon, I. B.; Zhurnal Obshchei Khimii 1951, V21, P760-4 CAPLUS
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