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2,5-Dimethoxy-4-iso-propylthioamphetamine

CAT: 0926-YEA64326-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-YEA64326-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123643-26-5
MDL Number
MFCD09030445
Smiles
CC (C) SC1=C (C=C (C (=C1) OC) CC (C) N) OC
Molecular Formula
C14H23NO2S
Molecular Weight
269.4 g/mol
Controlled
Yes

Chemical Information

2,5-Dimethoxy-4-iso-propylthioamphetamine
CAS Number123643-26-5
PubChem CID44350301
IUPAC Name1-(2,5-dimethoxy-4-propan-2-ylsulfanylphenyl)propan-2-amine
Molecular FormulaC14H23NO2S
Molecular Weight269.40
XLogP3
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity238
SMILES
CC(C)SC1=C(C=C(C(=C1)OC)CC(C)N)OC
InChI
InChI=1S/C14H23NO2S/c1-9(2)18-14-8-12(16-4)11(6-10(3)15)7-13(14)17-5/h7-10H,6,15H2,1-5H3
InChIKey
BCWCXWKCQMBFBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethoxy-4-iso-propylthioamphetamine
CAS: 123643-26-5
CID: 44350301
Formula: C14H23NO2S
MW: 269.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.40
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass269.14495015
Monoisotopic Mass269.14495015
Topological Polar Surface Area69.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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