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13001-46-2

13001-46-2 | Carbonodithioic acid, O-(2-methylpropyl) ester, potassium salt (1:1)

CAS No: 13001-46-2 Catalog No: AG000TWL MDL No:

Product Description

Catalog Number:
AG000TWL
Chemical Name:
Carbonodithioic acid, O-(2-methylpropyl) ester, potassium salt (1:1)
CAS Number:
13001-46-2
Molecular Formula:
C5H9KOS2
Molecular Weight:
188.3527
IUPAC Name:
potassium;2-methylpropoxymethanedithioate
InChI:
InChI=1S/C5H10OS2.K/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
InChI Key:
CRAXZMAICBMTCW-UHFFFAOYSA-M
SMILES:
CC(COC(=S)[S-])C.[K+]
EC Number:
235-837-2

Properties

Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.973g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.344g/mol
Monoisotopic Mass:
187.973g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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