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Home > Thiazole > 1333710-30-7
1333710-30-7 | 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CAS No: 1333710-30-7 Catalog No: AG01AKGS MDL No:MFCD16683017
Product Description
Catalog Number:
AG01AKGS
Chemical Name:
2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CAS Number:
1333710-30-7
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
MDL Number:
MFCD16683017
IUPAC Name:
2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
InChI:
InChI=1S/C13H13NOS/c15-11-8-4-7-10-12(11)16-13(14-10)9-5-2-1-3-6-9/h1-3,5-6,11,15H,4,7-8H2
InChI Key:
KQQIRFYLRZBNPW-UHFFFAOYSA-N
SMILES:
OC1CCCc2c1sc(n2)c1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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