Basic information
- Name:
Sodium O-isobutyl dithiocarbonate
- CAS No.:
25306-75-6
- Molecular Structure:
- Formula:
- C5H9NaOS2
- Molecular Weight:
- 172.2441
- Synonyms:
- Carbonicacid, dithio-, O-isobutyl ester, sodium salt (8CI);Carbonodithioic acid,O-(2-methylpropyl) ester, sodium salt (9CI);sodium isobutyl xanthate;
- EINECS:
- 246-805-2
- Transport Information:
- UN 3342
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Chemistry
Molecular Structure of Sodium O-isobutyl dithiocarbonate (CAS NO.25306-75-6):
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IUPAC Name: sodium butan-2-yloxymethanedithioic acid
Empirical Formula: C5H9NaOS2
Molecular Weight: 172.2441
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 41.32 Å2
CAS Registry Number: 25306-75-6
EINECS: 246-805-2
InChI
InChI=1/C5H10OS2.Na/c1-3-4(2)6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1
Smiles
O([C@@H](CC)C)C(S)=S.[Na+]
Safety Profile
RIDADR: 3342
HazardClass: 4.2
PackingGroup: II
Specification
Sodium O-isobutyl dithiocarbonate , with CAS number of 25306-75-6, can be called Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt ; carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1) ; Sodium isobutyl xanthate .