MPEG12-SH

CAT: 0926-FM72965-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FM72965-01Size:25 mg

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CAS Number

2413368-61-1

MDL Number

MFCD21363241

Smiles

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS

Molecular Formula

C25H52O12S

Molecular Weight

576.74 g/mol

Controlled

Chemical Information

m-PEG12-Thiol

CAS Number	2413368-61-1
PubChem CID	75535073
IUPAC Name	2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Molecular Formula	C25H52O12S
Molecular Weight	576.7
XLogP	-1.3
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	35
Heavy Atom Count	38
Formal Charge	0
Complexity	413

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS

InChI

InChI=1S/C25H52O12S/c1-26-2-3-27-4-5-28-6-7-29-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-25-38/h38H,2-25H2,1H3

InChIKey

MXDXXEVQFMVAIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2413368-61-1

CID: 75535073

Formula: C25H52O12S

MW: 576.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	576.7
XLogP3	-1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	35
Exact Mass	576.31794826
Monoisotopic Mass	576.31794826
Topological Polar Surface Area	112 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	413
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