SPDMV

CAT: 0607-BA2413-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2413-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

890409-85-5

Form

A solid

Molecular Formula

C15H18N2O4S2

Molecular Weight

354.44

Shipping Conditions

Blue ice

Storage Conditions

Tightly sealed and desiccated at -20°C.

Chemical Information

2,5-Dioxopyrrolidin-1-yl 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate

CAS Number	890409-85-5
PubChem CID	57901154
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate
Molecular Formula	C15H18N2O4S2
Molecular Weight	354.4
XLogP	1.6
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	454

SMILES

CC(C)(CCC(=O)ON1C(=O)CCC1=O)SSC2=CC=CC=N2

InChI

InChI=1S/C15H18N2O4S2/c1-15(2,23-22-11-5-3-4-10-16-11)9-8-14(20)21-17-12(18)6-7-13(17)19/h3-5,10H,6-9H2,1-2H3

InChIKey

GOJXFKVHNIGABU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 890409-85-5

CID: 57901154

Formula: C15H18N2O4S2

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	354.07079941
Monoisotopic Mass	354.07079941
Topological Polar Surface Area	127 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	454
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