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Dioctyltin Mercaptoacetate

CAT: 0572-TRC-D377460-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D377460-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15535-79-2
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CS1
Molecular Formula
C18 H36 O2 S Sn
Molecular Weight
435.252
InChI
InChI=1S/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2
Additionnal Information
IUPAC name: 2,2-dioctyl-1,3,2-oxathiastannolan-5-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,3,2-Oxathiastannolan-5-one, 2,2-dioctyl-
CAS Number15535-79-2
PubChem CID16682773
IUPAC Name2,2-dioctyl-1,3,2-oxathiastannolan-5-one
Molecular FormulaC18H36O2SSn
Molecular Weight435.3
Topological Polar Surface Area51.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity281
SMILES
CCCCCCCC[Sn]1(OC(=O)CS1)CCCCCCCC
InChI
InChI=1S/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2
InChIKey
KEUUHXDTZRYITO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 1,3,2-Oxathiastannolan-5-one, 2,2-dioctyl-
CAS: 15535-79-2
CID: 16682773
Formula: C18H36O2SSn
MW: 435.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass436.145804
Monoisotopic Mass436.145804
Topological Polar Surface Area51.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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OR1027012-01Isooctyl Mercaptoacetate
FE34642-01Ethyl mercaptoacetate
OR1028595-01Ethylene Mercaptoacetate
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