2-[[3-(Dimethylamino)propyl]propylamino]-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-phenylquinolinium

C₃₂H₃₇N₄S⁺CAS 163795-75-3509.74 g/mol

Open in Covalent MOL file

Alkene Sulfide Tertiary amine

Properties

Molecular formula: C₃₂H₃₇N₄S⁺
Molar mass: 509.74 g/mol
Exact mass: 509.2739 Da
logP: 6.30Crippen estimate
Polar surface area: 14.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Identifiers

CAS number

163795-75-3

SMILES

CCC[N+](CCCN(C)C)=c1cc(C=C2Sc3ccccc3N2C)c2ccccc2n1-c1ccccc1

InChIKey

CGNLCCVKSWNSDG-UHFFFAOYSA-N

InChI

InChI=1S/C32H37N4S/c1-5-20-35(22-13-21-33(2)3)31-23-25(24-32-34(4)29-18-11-12-19-30(29)37-32)27-16-9-10-17-28(27)36(31)26-14-7-6-8-15-26/h6-12,14-19,23-24H,5,13,20-22H2,1-4H3/q+1

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Names and synonyms

3 names

Quinolinium, 2-[[3-(dimethylamino)propyl]propylamino]-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-phenyl-
SYBR Green I cation
SYBR Green I

Work with 2-[[3-(Dimethylamino)propyl]propylamino]-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-phenylquinolinium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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