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Reference substances

Reference substances

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General information

Inventory

EC number:
246-805-2
EC name:
Sodium O-isobutyl dithiocarbonate
CAS number:
25306-75-6

No inventory information available

Reference substance information

IUPAC name:
sodium [(2-methylpropoxy)methanethioyl]sulfanide
Synonyms
Names:
Carbonic acid, dithio-, O-isobutyl ester, sodium salt
Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt
Identifier:
CAS number
25306-75-6
Identifier:
IUPAC name
Sodium butan-2-yloxymethanedithioic acid
Identifier:
other: InChl
1/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
Identifier:
other: InChl
InChI=1S/C5H10OS2.Na/c1-3-4(2)6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1
Identifier:
other: SMILES notation
[Na+].CCC(C)OC(S)=S
sodium O-isobutyl dithiocarbonate

CAS information

CAS number:
25306-75-6

Molecular and structural information

Molecular formula:
C5H10OS2.Na
Molecular weight:
172.244
SMILES notation:
[Na+].CC(C)COC(=S)[S-]
InChl:
InChI=1/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
Structural formula:
Chemical structure