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53146-48-8 | 5-tert-butyl-1,3-benzoxazole-2-thiol
CAS No: 53146-48-8 Catalog No: AG00DIX3 MDL No:MFCD09259264
Product Description
Catalog Number:
AG00DIX3
Chemical Name:
5-tert-butyl-1,3-benzoxazole-2-thiol
CAS Number:
53146-48-8
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD09259264
IUPAC Name:
5-tert-butyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C11H13NOS/c1-11(2,3)7-4-5-9-8(6-7)12-10(14)13-9/h4-6H,1-3H3,(H,12,14)
InChI Key:
OIOGHWZPVMHTEA-UHFFFAOYSA-N
SMILES:
Sc1oc2c(n1)cc(cc2)C(C)(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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