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779283-06-6 | Carbonodithioic acid,O-[(3-methyl-2-oxo-4-oxazolidinyl)methyl] ester
CAS No: 779283-06-6 Catalog No: AG005QMT MDL No:
Product Description
Catalog Number:
AG005QMT
Chemical Name:
Carbonodithioic acid,O-[(3-methyl-2-oxo-4-oxazolidinyl)methyl] ester
CAS Number:
779283-06-6
Molecular Formula:
C6H9NO3S2
Molecular Weight:
207.2706
IUPAC Name:
(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methoxymethanedithioic acid
InChI:
InChI=1S/C6H9NO3S2/c1-7-4(2-9-5(7)8)3-10-6(11)12/h4H,2-3H2,1H3,(H,11,12)
InChI Key:
CBGMRVGQHZFEAB-UHFFFAOYSA-N
SMILES:
CN1C(COC(=S)S)COC1=O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.262g/mol
Monoisotopic Mass:
207.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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