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49559-83-3 | 5-methoxy-3H-benzooxazole-2-thione
CAS No: 49559-83-3 Catalog No: AG00DIGM MDL No:MFCD03030041
Product Description
Catalog Number:
AG00DIGM
Chemical Name:
5-methoxy-3H-benzooxazole-2-thione
CAS Number:
49559-83-3
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD03030041
IUPAC Name:
5-methoxy-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C8H7NO2S/c1-10-5-2-3-7-6(4-5)9-8(12)11-7/h2-4H,1H3,(H,9,12)
InChI Key:
QGTUVLRFJOUWBN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(o2)S
UNII:
3VP1P6DX2V
NSC Number:
77359
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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