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649774-46-9 | Quinoline, 3-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-
CAS No: 649774-46-9 Catalog No: AG00H6PG MDL No:
Product Description
Catalog Number:
AG00H6PG
Chemical Name:
Quinoline, 3-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-
CAS Number:
649774-46-9
Molecular Formula:
C15H9NS4
Molecular Weight:
331.4987
IUPAC Name:
3-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]quinoline
InChI:
InChI=1S/C15H9NS4/c1-2-4-12-10(3-1)7-11(8-16-12)13-9-19-15(20-13)14-17-5-6-18-14/h1-9H
InChI Key:
IUMADFQRAQSZIO-UHFFFAOYSA-N
SMILES:
C1=CSC(=C2SC=C(S2)c2cnc3c(c2)cccc3)S1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.962g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.484g/mol
Monoisotopic Mass:
330.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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