Cas no 77-27-0 (4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo-)
77-27-0 structure
Product Name:4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo-
CAS No:77-27-0
MF:C12H18N2O2S
MW:254.348521709442
CID:565063
Update Time:2025-04-19
4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo-
- ***
- 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- Thiamylal
- 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid
- Bio-Tal
- NSC 120815
- Surital
- Thioquinalbarbitone
- Thioseconal
-
- Inchi： 1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
- InChI Key： XLOMZPUITCYLMJ-UHFFFAOYSA-N
- SMILES： S=C1NC(C(C(N1)=O)(CC=C)C(C)CCC)=O
Computed Properties
- Exact Mass: 254.10900
Experimental Properties
- Density: 1.1828 (rough estimate)
- Melting Point: 132-133°
- Refractive Index: 1.5510 (estimate)
- PSA: 90.29000
- LogP: 2.17360
4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo- Security Information
- Hazardous Material transportation number：UN 3249
- WGK Germany：3
- Hazard Category Code： 23/24/25
- Safety Instruction： 36/37/39-45
-
Hazardous Material Identification：
- HazardClass：6.1(b)
- PackingGroup：III
- Packing Group：III
- Hazard Level：6.1(b)
- Safety Term：6.1(b)
- Packing Group：III
- Risk Phrases：R23/24/25
4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo- Customs Data
- HS CODE：2933530015
- Customs Data：
China Customs Code:
2933530015
4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo- Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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