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112251-27-1 | Benzothiazole, 2,3-dihydro-2-(1H-indol-3-yl)-
CAS No: 112251-27-1 Catalog No: AG00833D MDL No:
Product Description
Catalog Number:
AG00833D
Chemical Name:
Benzothiazole, 2,3-dihydro-2-(1H-indol-3-yl)-
CAS Number:
112251-27-1
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
IUPAC Name:
2-(1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C15H12N2S/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15/h1-9,15-17H
InChI Key:
PCJHVPNWICPVNO-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)SC(N2)c1c[nH]c2c1cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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