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180308-29-6 | Ethanethioic acid,O-4-pyridinyl ester (9CI)
CAS No: 180308-29-6 Catalog No: AG0021WR MDL No:
Product Description
Catalog Number:
AG0021WR
Chemical Name:
Ethanethioic acid,O-4-pyridinyl ester (9CI)
CAS Number:
180308-29-6
Molecular Formula:
C7H7NOS
Molecular Weight:
153.2016
IUPAC Name:
O-pyridin-4-yl ethanethioate
InChI:
InChI=1S/C7H7NOS/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3
InChI Key:
KGVUTEGTZWOIIN-UHFFFAOYSA-N
SMILES:
CC(=S)Oc1ccncc1
Properties
Complexity:
121
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:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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