Dimepiperate

CAT: 0607-BA7963-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7963-50Size:50 mg

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CAS Number

61432-55-1

Molecular Formula

C15H21NOS

Molecular Weight

263.40

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Dimepiperate

Dimepiperate is a monothiocarbamic ester and a piperidinecarboxylate ester.

CAS Number	61432-55-1
PubChem CID	91679
IUPAC Name	S-(2-phenylpropan-2-yl) piperidine-1-carbothioate
Molecular Formula	C15H21NOS
Molecular Weight	263.4
XLogP	3.6
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	278

SMILES

CC(C)(C1=CC=CC=C1)SC(=O)N2CCCCC2

InChI

InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3

InChIKey

BWUPSGJXXPATLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61432-55-1

CID: 91679

Formula: C15H21NOS

MW: 263.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	263.13438547
Monoisotopic Mass	263.13438547
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	278
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