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76111-71-2 | 2-(1,3-BENZOXAZOL-2-YLTHIO)ETHANAMINE
CAS No: 76111-71-2 Catalog No: AG005G5I MDL No:MFCD08059941
Product Description
Catalog Number:
AG005G5I
Chemical Name:
2-(1,3-BENZOXAZOL-2-YLTHIO)ETHANAMINE
CAS Number:
76111-71-2
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
MDL Number:
MFCD08059941
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanyl)ethanamine
InChI:
InChI=1S/C9H10N2OS/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
InChI Key:
LIZDKHZOMRDDRY-UHFFFAOYSA-N
SMILES:
NCCSc1nc2c(o1)cccc2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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