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477887-01-7 | 1-(1,3-benzothiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-2-ol
CAS No: 477887-01-7 Catalog No: AG00IP0H MDL No:MFCD01814789
Product Description
Catalog Number:
AG00IP0H
Chemical Name:
1-(1,3-benzothiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-2-ol
CAS Number:
477887-01-7
Molecular Formula:
C16H13NOS2
Molecular Weight:
299.4105
MDL Number:
MFCD01814789
IUPAC Name:
1-(1,3-benzothiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-2-ol
InChI:
InChI=1S/C16H13NOS2/c18-13-9-10-5-1-2-6-11(10)15(13)20-16-17-12-7-3-4-8-14(12)19-16/h1-8,13,15,18H,9H2
InChI Key:
UFWPDUCKBPVARI-UHFFFAOYSA-N
SMILES:
OC1Cc2c(C1Sc1nc3c(s1)cccc3)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.406g/mol
Monoisotopic Mass:
299.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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