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10111-76-9 | Ethanethioic acid, S-2-pyridinyl ester
CAS No: 10111-76-9 Catalog No: AG0003SH MDL No:
Product Description
Catalog Number:
AG0003SH
Chemical Name:
Ethanethioic acid, S-2-pyridinyl ester
CAS Number:
10111-76-9
Molecular Formula:
C7H7NOS
Molecular Weight:
153.2016
IUPAC Name:
S-pyridin-2-yl ethanethioate
InChI:
InChI=1S/C7H7NOS/c1-6(9)10-7-4-2-3-5-8-7/h2-5H,1H3
InChI Key:
ITEXKYOIISHJRN-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1ccccn1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.199g/mol
Monoisotopic Mass:
153.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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