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Home > Fluorides > 917746-31-7
917746-31-7 | 4-Isopropyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene-3-thiol
CAS No: 917746-31-7 Catalog No: AG01EZ4B MDL No:
Product Description
Catalog Number:
AG01EZ4B
Chemical Name:
4-Isopropyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene-3-thiol
CAS Number:
917746-31-7
Molecular Formula:
C14H16N4S2
Molecular Weight:
304.4336
IUPAC Name:
7-propan-2-yl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
InChI:
InChI=1S/C14H16N4S2/c1-7(2)11-15-13-10(12-16-17-14(19)18(11)12)8-5-3-4-6-9(8)20-13/h7H,3-6H2,1-2H3,(H,17,19)
InChI Key:
DMDGPCYDENLKMQ-UHFFFAOYSA-N
SMILES:
CC(c1nc2sc3c(c2c2n1c(S)nn2)CCCC3)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.43g/mol
Monoisotopic Mass:
304.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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