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137361-19-4 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(2,5-dihydroxyphenyl)-
CAS No: 137361-19-4 Catalog No: AG00135U MDL No:
Product Description
Catalog Number:
AG00135U
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(2,5-dihydroxyphenyl)-
CAS Number:
137361-19-4
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
IUPAC Name:
5-(2,5-dihydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C8H6N2O3S/c11-4-1-2-6(12)5(3-4)7-9-10-8(14)13-7/h1-3,11-12H,(H,10,14)
InChI Key:
WXBWWPDIQSHHTD-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)c1n[nH]c(=S)o1)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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