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832077-52-8 | 2(3H)-Oxazolethione, 5-(3-furanyl)-
CAS No: 832077-52-8 Catalog No: AG004VFE MDL No:
Product Description
Catalog Number:
AG004VFE
Chemical Name:
2(3H)-Oxazolethione, 5-(3-furanyl)-
CAS Number:
832077-52-8
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
IUPAC Name:
5-(furan-3-yl)-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C7H5NO2S/c11-7-8-3-6(10-7)5-1-2-9-4-5/h1-4H,(H,8,11)
InChI Key:
AYUOHDHEHHJFPG-UHFFFAOYSA-N
SMILES:
S=c1[nH]cc(o1)c1cocc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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