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147363-38-0 | Acetic acid, 2-mercapto-, 2-hydroxy-1-methylethyl ester
CAS No: 147363-38-0 Catalog No: AG001EU3 MDL No:
Product Description
Catalog Number:
AG001EU3
Chemical Name:
Acetic acid, 2-mercapto-, 2-hydroxy-1-methylethyl ester
CAS Number:
147363-38-0
Molecular Formula:
C5H10O3S
Molecular Weight:
150.1961
IUPAC Name:
1-hydroxypropan-2-yl 2-sulfanylacetate
InChI:
InChI=1S/C5H10O3S/c1-4(2-6)8-5(7)3-9/h4,6,9H,2-3H2,1H3
InChI Key:
JPVAITVXPAAJGO-UHFFFAOYSA-N
SMILES:
OCC(OC(=O)CS)C
Properties
Complexity:
94.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.192g/mol
Monoisotopic Mass:
150.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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