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85650-89-1 | Carbonodithioic acid,O-isooctyl ester, potassium salt (9CI)
CAS No: 85650-89-1 Catalog No: AG004THD MDL No:
Product Description
Catalog Number:
AG004THD
Chemical Name:
Carbonodithioic acid,O-isooctyl ester, potassium salt (9CI)
CAS Number:
85650-89-1
Molecular Formula:
C9H17KOS2
Molecular Weight:
244.4590
IUPAC Name:
potassium;6-methylheptoxymethanedithioate
InChI:
InChI=1S/C9H18OS2.K/c1-8(2)6-4-3-5-7-10-9(11)12;/h8H,3-7H2,1-2H3,(H,11,12);/q;+1/p-1
InChI Key:
BPGJJRCXTBPLGR-UHFFFAOYSA-M
SMILES:
CC(CCCCCOC(=S)[S-])C.[K+]
EC Number:
288-099-9
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.452g/mol
Monoisotopic Mass:
244.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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