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13749-75-2 | 2-Furancarbothioic acid, O-ethyl ester
CAS No: 13749-75-2 Catalog No: AG0013D4 MDL No:
Product Description
Catalog Number:
AG0013D4
Chemical Name:
2-Furancarbothioic acid, O-ethyl ester
CAS Number:
13749-75-2
Molecular Formula:
C7H8O2S
Molecular Weight:
156.2022
IUPAC Name:
O-ethyl furan-2-carbothioate
InChI:
InChI=1S/C7H8O2S/c1-2-8-7(10)6-4-3-5-9-6/h3-5H,2H2,1H3
InChI Key:
JNDFODSVSTYNHV-UHFFFAOYSA-N
SMILES:
CCOC(=S)c1ccco1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.199g/mol
Monoisotopic Mass:
156.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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