Thio-PEG4-t-butyl ester

CAT: 0127-BIPG1848-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1848-01Size:50 mg

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CAS Number

564476-33-1

MDL Number

MFCD11041133

Purity

95%

Smiles

CC(C)(C)OC(=O)CCOCCOCCOCCOCCS

Chemical Information

Thiol-PEG4-t-butyl ester

CAS Number	564476-33-1
PubChem CID	12082267
IUPAC Name	tert-butyl 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C15H30O6S
Molecular Weight	338.5
XLogP	0.7
Topological Polar Surface Area	64.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	16
Heavy Atom Count	22
Formal Charge	0
Complexity	267

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCS

InChI

InChI=1S/C15H30O6S/c1-15(2,3)21-14(16)4-5-17-6-7-18-8-9-19-10-11-20-12-13-22/h22H,4-13H2,1-3H3

InChIKey

NKLWGDQDZRFINM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 564476-33-1

CID: 12082267

Formula: C15H30O6S

MW: 338.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.5
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	16
Exact Mass	338.17630985
Monoisotopic Mass	338.17630985
Topological Polar Surface Area	64.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	267
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

Catalog	Name
BIPG1847-01	Thio-PEG2-t-butyl ester
BIPG2106-01	T-Butyl ester-PEG4-CH2COOH
OR1039448-01	Bis-PEG4-t-butyl ester
BIPG1745-01	Propargyl-PEG4-t-butyl ester
BIPG1369-01	Chloroacetamido-PEG4-t-Butyl Ester
BIPG1320-01	Bromoacetamido-PEG4-t-Butyl Ester
BIPG1171-01	Azido-PEG4-t-butyl ester
BIPG2597-01	Methoxycarbonyl-PEG4-t-butyl ester
BIPG1350-01	Bromo-PEG4-t-butyl ester
BIPG1014	Ald-PEG4-t-butyl ester

Catalog	Name
sc-496477	Thio-PEG4-t-butyl ester
WPC61614-01	Methylamino-PEG4-t-butyl ester
T207922-01	MS-PEG4-t-butyl ester
HY-172717	TAMRA-PEG4-t-butyl ester
HY-131699	T-Butyl ester-PEG4-CH2COOH
T39532-01	Bis-PEG4-t-butyl ester
T39619-01	FmocNH-PEG4-t-butyl ester
571808	Amino-PEG4-t-butyl ester
573065	Thiol-PEG4-t-butyl ester
572872	Mal-PEG4-t-butyl ester