Registration Dossier

General information

Inventory

EC number:
200-984-3
EC name:
5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid
CAS number:
76-75-5

No inventory information available

Reference substance information

IUPAC name:
5-ethyl-5-(pentan-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Synonyms
Names:
Identifier:
IUPAC name
5-ethyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Identifier:
other: SMILES notation
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
Identifier:
other: InChl
InChI=1/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
5-ethyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidine-4,6-dione

CAS information

CAS number:
76-75-5

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
59709-53-4

Molecular and structural information

Molecular formula:
C11H18N2O2S
Molecular weight:
242.338
SMILES notation:
O=C1NC(=S)NC(=O)C1(C(C)CCC)CC
InChl:
InChI=1/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
Structural formula:
Chemical structure