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Home > Indoles and Oxindole > 14120-29-7
14120-29-7 | 8-nitro-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
CAS No: 14120-29-7 Catalog No: AG006YY6 MDL No:
Product Description
Catalog Number:
AG006YY6
Chemical Name:
8-nitro-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
CAS Number:
14120-29-7
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
IUPAC Name:
8-nitro-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
InChI:
InChI=1S/C11H10N2O2S/c14-13(15)7-1-2-10-8(5-7)9-6-16-4-3-11(9)12-10/h1-2,5,12H,3-4,6H2
InChI Key:
JTDQPWISLAVXCV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1CSCCc1[nH]2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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