Cas no 2095-58-1 (4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylpropyl)-5-(2-propen-1-yl)-2-thioxo-)
2095-58-1 structure
Product Name:4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylpropyl)-5-(2-propen-1-yl)-2-thioxo-
CAS No:2095-58-1
MF:C11H16N2O2S
MW:240.321941375732
CID:255439
PubChem ID:3032420
Update Time:2025-04-19
4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylpropyl)-5-(2-propen-1-yl)-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylpropyl)-5-(2-propen-1-yl)-2-thioxo-
- 5-butan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- Thiosebutal
- BARBITURIC ACID, 5-ALLYL-5-sec-BUTYL-2-THIO-
- DTXSID60943242
- 5-Allyl-5-sec-butyl-2-thiobarbituric acid
- allyl-s-butyl-thiobarbiturate
- Allyl sec-butyl thiobarbituric acid
- 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methylpropyl)-5-(2-propen-1-yl)-2-thioxo-
- SCHEMBL10582774
- 2095-58-1
- 5-(Butan-2-yl)-4,6-dihydroxy-5-(prop-2-en-1-yl)pyrimidine-2(5H)-thione
- BRN 0202154
-
- Inchi： 1S/C11H16N2O2S/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
- InChI Key： GCOXVMRWVAFFEE-UHFFFAOYSA-N
- SMILES： S=C1NC(C(C(N1)=O)(CC=C)C(C)CC)=O
Computed Properties
- Exact Mass: 240.09338
- Monoisotopic Mass: 240.09324893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 90.3?2
Experimental Properties
- Density: 1.2072 (rough estimate)
- Refractive Index: 1.5650 (estimate)
- PSA: 58.2
4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylpropyl)-5-(2-propen-1-yl)-2-thioxo- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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