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

Hazards

Warning

H341 Suspected of causing genetic defects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

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

Characterization data

Calculated from the structure, in the form journals print them.

[M]+

[M]+ Calcd for C32H37N4S 509.2733

Elemental analysis

Anal. Calcd for C32H37N4S: C, 75.40; H, 7.32; N, 10.99; S, 6.29.

Weigh it out

Type any one amount. The others follow from the molar mass.

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

PubChem CAS Common Chemistry NIST WebBook