AG00DEO2

5217-47-0 | 1,3-Diethyl-2-thiobarbituric acid

AG00DEO2

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CAS Number	5217-47-0
Catalog Number	AG00DEO2(AGN-PC-0JLRNW)
Chemical Name	1,3-Diethyl-2-thiobarbituric acid
EC Number	226-010-7
IUPAC Name	1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI	InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
InChI Key	SHBTUGJAKBRBBJ-UHFFFAOYSA-N
MDL Number	MFCD00006676
Molecular Formula	C8H12N2O2S
Molecular Weight	200.2581
NSC Number	158284
SMILES	S=C(N(CC)C(C1)=O)N(CC)C1=O
UNII	BXB40M6A7W
Synonyms	1,3-DETB, 1,3-diethyl-2-thiobarbituric acid, 1,3-Diethyl-2-thiobarbituric acid, 5217-47-0, 1,3-Diethylthiobarbituric acid, 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, N,N'-Diethylthiobarbituric acid, N,N'-Diethyl-2-thiobarbituric acid, UNII-BXB40M6A7W, 1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, EINECS 226-010-7, 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo-, NSC 158284, Barbituric acid, 1,3-diethyl-2-thio-, BXB40M6A7W, MLS003106467, 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, SHBTUGJAKBRBBJ-UHFFFAOYSA-N, 1,3-Diethyl-2-thiobarbituric acid, 99%, 1,3-diethyl-2-thioxo-1,3,5-trihydropyrimidine-4,6-dione, AC1Q2ZVZ, AC1L2W6M, AC1Q7F1H, SCHEMBL1033205, CHEMBL2136061, DTXSID0022222, CTK4J5522, SHBTUGJAKBRBBJ-UHFFFAOYSA-, ZINC119654, Barbituric acid,3-diethyl-2-thio-, MFCD00006676, NSC158284, SBB056781, STK201353, AKOS000119446, MCULE-1155587197, NE10450, NSC-158284, SMR001821370, ZB003996, DB-052084, LS-184944, FT-0635580, ST50308641, EN300-18198, Barbituric acid, 1,3-diethyl-2-thio- (8CI), SR-01000311815, I04-8632, J-803024, SR-01000311815-1, 4,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo-, Z57354986, 4,6(1H,5H)-Pyrimidinedione,1,3-diethyldihydro-2-thioxo-, 1,3-Diethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione #, 3-[3-(Piperidin-1-ylmethyl)pheno xy]propan-1-amine oxalic acid salt, InChI=1/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3, 1U6, Diethylthiobarbituric acid, C8H12N2O2S, CID78890, C8-H12-N2-O2-S, AR-1I5177, ZINC00119654, 6295-56-3,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.062g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.256g/mol
Monoisotopic Mass	200.062g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H317
Precuationary statements	P280-P301+P310
Siginal words

Certificate of Analysis

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