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915151-24-5 | 4-ETHYL-BENZO[D]OXAZOLE-2-THIOL
CAS No: 915151-24-5 Catalog No: AG006LLB MDL No:
Product Description
Catalog Number:
AG006LLB
Chemical Name:
4-ETHYL-BENZO[D]OXAZOLE-2-THIOL
CAS Number:
915151-24-5
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
4-ethyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C9H9NOS/c1-2-6-4-3-5-7-8(6)10-9(12)11-7/h3-5H,2H2,1H3,(H,10,12)
InChI Key:
NAWJNKORKREYFV-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1nc(o2)S
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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