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22876-22-8 | 5-Methylbenzo[d]oxazole-2(3H);-thione
CAS No: 22876-22-8 Catalog No: AG003B8P MDL No:MFCD00052492
Product Description
Catalog Number:
AG003B8P
Chemical Name:
5-Methylbenzo[d]oxazole-2(3H);-thione
CAS Number:
22876-22-8
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00052492
IUPAC Name:
5-methyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C8H7NOS/c1-5-2-3-7-6(4-5)9-8(11)10-7/h2-4H,1H3,(H,9,11)
InChI Key:
SSWZUOXLFTXIEZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(=S)o2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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