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140-93-2 | Carbonodithioic acid, O-(1-methylethyl) ester, sodium salt (1:1)
CAS No: 140-93-2 Catalog No: AG001BY8 MDL No:MFCD00067275
Product Description
Catalog Number:
AG001BY8
Chemical Name:
Carbonodithioic acid, O-(1-methylethyl) ester, sodium salt (1:1)
CAS Number:
140-93-2
Molecular Formula:
C4H7NaOS2
Molecular Weight:
158.2175
MDL Number:
MFCD00067275
IUPAC Name:
sodium;propan-2-yloxymethanedithioate
InChI:
InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
InChI Key:
IRZFQKXEKAODTJ-UHFFFAOYSA-M
SMILES:
CC(OC(=S)[S-])C.[Na+]
EC Number:
205-443-5
UNII:
KX4656TTH5
Properties
Complexity:
74.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.984g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.209g/mol
Monoisotopic Mass:
157.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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