LDN-192960

CAT: 0607-BA4113-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4113-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

184582-62-5

Form

A solid

Molecular Formula

C18H20N2O2S

Molecular Weight

328.43

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine

CAS Number	184582-62-5
PubChem CID	53390843
IUPAC Name	3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
Molecular Formula	C18H20N2O2S
Molecular Weight	328.4
XLogP	3.4
Topological Polar Surface Area	82.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	343

SMILES

COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCN)OC

InChI

InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3

InChIKey

ZFOMCSNUEHMROO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 184582-62-5

CID: 53390843

Formula: C18H20N2O2S

MW: 328.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	328.12454906
Monoisotopic Mass	328.12454906
Topological Polar Surface Area	82.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	343
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes