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69528-38-7 | ETHANETHIOIC ACID S-(5-METHYL-3-ISOXAZOLYL) ESTER
CAS No: 69528-38-7 Catalog No: AG005XBM MDL No:MFCD28384910
Product Description
Catalog Number:
AG005XBM
Chemical Name:
ETHANETHIOIC ACID S-(5-METHYL-3-ISOXAZOLYL) ESTER
CAS Number:
69528-38-7
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD28384910
IUPAC Name:
S-(5-methyl-1,2-oxazol-3-yl) ethanethioate
InChI:
InChI=1S/C6H7NO2S/c1-4-3-6(7-9-4)10-5(2)8/h3H,1-2H3
InChI Key:
LVXYKROLGFRBTD-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1noc(c1)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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