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17357-56-1 | 2-Furancarbothioic acid, S-(phenylmethyl) ester
CAS No: 17357-56-1 Catalog No: AG001Z1P MDL No:
Product Description
Catalog Number:
AG001Z1P
Chemical Name:
2-Furancarbothioic acid, S-(phenylmethyl) ester
CAS Number:
17357-56-1
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
IUPAC Name:
S-benzyl furan-2-carbothioate
InChI:
InChI=1S/C12H10O2S/c13-12(11-7-4-8-14-11)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChI Key:
CGSSMUWNFHQHCD-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)SCc1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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