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13673-62-6 | Benzoxazole, 2-(methylthio)-
CAS No: 13673-62-6 Catalog No: AG00HUOM MDL No:MFCD00160027
Product Description
Catalog Number:
AG00HUOM
Chemical Name:
Benzoxazole, 2-(methylthio)-
CAS Number:
13673-62-6
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00160027
IUPAC Name:
2-methylsulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C8H7NOS/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3
InChI Key:
CBXAWZGFEDZKFR-UHFFFAOYSA-N
SMILES:
CSc1nc2c(o1)cccc2
Properties
Complexity:
142
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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