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67333-55-5 | 2-Quinolinecarbodithioic acid, methyl ester
CAS No: 67333-55-5 Catalog No: AG0062N8 MDL No:
Product Description
Catalog Number:
AG0062N8
Chemical Name:
2-Quinolinecarbodithioic acid, methyl ester
CAS Number:
67333-55-5
Molecular Formula:
C11H9NS2
Molecular Weight:
219.3259
IUPAC Name:
methyl quinoline-2-carbodithioate
InChI:
InChI=1S/C11H9NS2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3
InChI Key:
NXTOBKKLTGUPTB-UHFFFAOYSA-N
SMILES:
CSC(=S)c1ccc2c(n1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.32g/mol
Monoisotopic Mass:
219.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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