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17357-38-9 | 2-Furancarbothioic acid, S-phenyl ester
CAS No: 17357-38-9 Catalog No: AG001Z1Q MDL No:
Product Description
Catalog Number:
AG001Z1Q
Chemical Name:
2-Furancarbothioic acid, S-phenyl ester
CAS Number:
17357-38-9
Molecular Formula:
C11H8O2S
Molecular Weight:
204.2450
IUPAC Name:
S-phenyl furan-2-carbothioate
InChI:
InChI=1S/C11H8O2S/c12-11(10-7-4-8-13-10)14-9-5-2-1-3-6-9/h1-8H
InChI Key:
XCQROCMQSAUOTM-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)Sc1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.243g/mol
Monoisotopic Mass:
204.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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