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87707-57-1 | 2(3H)-Benzoxazolethione, 3-(2-furanylmethyl)-
CAS No: 87707-57-1 Catalog No: AG004JMT MDL No:
Product Description
Catalog Number:
AG004JMT
Chemical Name:
2(3H)-Benzoxazolethione, 3-(2-furanylmethyl)-
CAS Number:
87707-57-1
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
IUPAC Name:
3-(furan-2-ylmethyl)-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C12H9NO2S/c16-12-13(8-9-4-3-7-14-9)10-5-1-2-6-11(10)15-12/h1-7H,8H2
InChI Key:
MPIVADJGEDDKRX-UHFFFAOYSA-N
SMILES:
S=c1oc2c(n1Cc1ccco1)cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.269g/mol
Monoisotopic Mass:
231.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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