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Home > Indoles and Oxindole > 169827-91-2
169827-91-2 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(2-thienyl)-
CAS No: 169827-91-2 Catalog No: AG00797P MDL No:
Product Description
Catalog Number:
AG00797P
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(2-thienyl)-
CAS Number:
169827-91-2
Molecular Formula:
C15H14N2S
Molecular Weight:
254.3501
IUPAC Name:
1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI:
InChI=1S/C15H14N2S/c1-2-5-12-10(4-1)11-7-8-16-15(14(11)17-12)13-6-3-9-18-13/h1-6,9,15-17H,7-8H2
InChI Key:
ORBSTHZLNWEZID-UHFFFAOYSA-N
SMILES:
c1csc(c1)C1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.351g/mol
Monoisotopic Mass:
254.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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