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Home > Indoles and Oxindole > 19970-81-1
19970-81-1 | [1]Benzothiopyrano[4,3-b]indole, 6,11-dihydro-6-methyl-
CAS No: 19970-81-1 Catalog No: AG002CAB MDL No:
Product Description
Catalog Number:
AG002CAB
Chemical Name:
[1]Benzothiopyrano[4,3-b]indole, 6,11-dihydro-6-methyl-
CAS Number:
19970-81-1
Molecular Formula:
C16H13NS
Molecular Weight:
251.3461
IUPAC Name:
6-methyl-6,11-dihydrothiochromeno[4,3-b]indole
InChI:
InChI=1S/C16H13NS/c1-10-15-11-6-2-4-8-13(11)17-16(15)12-7-3-5-9-14(12)18-10/h2-10,17H,1H3
InChI Key:
RNJKZMFTCFMSKJ-UHFFFAOYSA-N
SMILES:
CC1Sc2ccccc2c2c1c1ccccc1[nH]2
NSC Number:
150783
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.347g/mol
Monoisotopic Mass:
251.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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