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161196-23-2 | 2-Propenoic acid, 2-methyl-, (2-thioxo-1,3-oxathiolan-5-yl)methyl ester
CAS No: 161196-23-2 Catalog No: AG001S8R MDL No:
Product Description
Catalog Number:
AG001S8R
Chemical Name:
2-Propenoic acid, 2-methyl-, (2-thioxo-1,3-oxathiolan-5-yl)methyl ester
CAS Number:
161196-23-2
Molecular Formula:
C8H10O3S2
Molecular Weight:
218.2932
IUPAC Name:
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl 2-methylprop-2-enoate
InChI:
InChI=1S/C8H10O3S2/c1-5(2)7(9)10-3-6-4-13-8(12)11-6/h6H,1,3-4H2,2H3
InChI Key:
CHGDTKXIBWRKIM-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCC1CSC(=S)O1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.285g/mol
Monoisotopic Mass:
218.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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