AG00DEEI

52190-55-3 | 2,5,8,11-Tetraoxatridecane-13-thiol

AG00DEEI

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CAS Number	52190-55-3
Catalog Number	AG00DEEI(AGN-PC-09RML9)
Chemical Name	2,5,8,11-Tetraoxatridecane-13-thiol
IUPAC Name	2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethiol
InChI	InChI=1S/C9H20O4S/c1-10-2-3-11-4-5-12-6-7-13-8-9-14/h14H,2-9H2,1H3
InChI Key	VXEBAWYHFQRROQ-UHFFFAOYSA-N
MDL Number	MFCD07778621
Molecular Formula	C9H20O4S
Molecular Weight	224.3177
SMILES	COCCOCCOCCOCCS
Synonyms	2,5,8,11-TETRAOXATRIDECANE-13-THIOL, 52190-55-3, m-PEG4-thiol, mPEG4-SH, mPEG4-thiol, mPEG4-HS, BIPG1647, SCHEMBL2221459, CTK1G9264, DTXSID90694735, BCP11349, MFCD07778621, ZINC83253930, AKOS027320627, 3,6,9,12-Tetraoxatridecane-1-thiol, ACM52190553, AN-41044, BP-21117, DB-080772, FT-0713143, 190T553, 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethiol,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.108g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.315g/mol
Monoisotopic Mass	224.108g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	37.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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