O-[butyl-di(propanethioyloxy)stannyl] propanethioate

C13H24O3S3Sn — CID 139915092

IUPACO-[butyl-di(propanethioyloxy)stannyl] propanethioate
SMILESCCCC[Sn](OC(=S)CC)(OC(=S)CC)OC(=S)CC
InChIInChI=1S/C4H9.3C3H6OS.Sn/c1-3-4-2;3*1-2-3(4)5;/h1,3-4H2,2H3;3*2H2,1H3,(H,4,5);/q;;;;+3/p-3
InChIKeyYEIJNSBQRZEPBE-UHFFFAOYSA-K
MW443.24 g/mol
LogP4.99
Rot. Bonds9

About O-[butyl-di(propanethioyloxy)stannyl] propanethioate

O-[butyl-di(propanethioyloxy)stannyl] propanethioate (PubChem CID 139915092) has the molecular formula C13H24O3S3Sn and a molecular weight of 443.24 g/mol. Its IUPAC name is O-[butyl-di(propanethioyloxy)stannyl] propanethioate.

Molecular Properties

Compound NameO-[butyl-di(propanethioyloxy)stannyl] propanethioate
PubChem CID139915092
Molecular FormulaC13H24O3S3Sn
Molecular Weight443.24 g/mol
Exact Mass443.99
IUPAC NameO-[butyl-di(propanethioyloxy)stannyl] propanethioate
SMILESCCCC[Sn](OC(=S)CC)(OC(=S)CC)OC(=S)CC
InChIInChI=1S/C4H9.3C3H6OS.Sn/c1-3-4-2;3*1-2-3(4)5;/h1,3-4H2,2H3;3*2H2,1H3,(H,4,5);/q;;;;+3/p-3
InChIKeyYEIJNSBQRZEPBE-UHFFFAOYSA-K
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.24
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[bis[(3-acetyl-2,4-dioxopentanoyl)oxy]-butylstannyl] 3-acetyl-2,4-dioxopentanoate
CID 141124032
O-[bis(2,10-dimethylundecanethioyloxy)-octylstannyl] 2,10-dimethylundecanethioate
CID 139676871
4-O-[butyl-bis[(4-ethoxy-4-oxobut-2-enoyl)oxy]stannyl] 1-O-ethyl but-2-enedioate
CID 53428600
[butyl-bis[2-(sulfanylmethyl)octanoyloxy]stannyl] 2-(sulfanylmethyl)octanoate
CID 139892349
[di(butanoyloxy)-dodecylstannyl] butanoate
CID 139676665
[octyl-di(pentanoyloxy)stannyl] pentanoate
CID 71337905
[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
O-tridecan-3-yl propanethioate
CID 154089315
[bis(2-ethylhexanoyloxy)-octylstannyl] 2-ethylhexanoate
CID 139864420
[butyl-bis[(2-octylsulfanylacetyl)oxy]stannyl] 2-octylsulfanylacetate
CID 139668459
bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
CID 139683682

Frequently Asked Questions

What is the IUPAC name of O-[butyl-di(propanethioyloxy)stannyl] propanethioate?
The IUPAC name of O-[butyl-di(propanethioyloxy)stannyl] propanethioate (CID 139915092) is O-[butyl-di(propanethioyloxy)stannyl] propanethioate.
What is the SMILES notation for O-[butyl-di(propanethioyloxy)stannyl] propanethioate?
The canonical SMILES for O-[butyl-di(propanethioyloxy)stannyl] propanethioate is CCCC[Sn](OC(=S)CC)(OC(=S)CC)OC(=S)CC.
What is the InChIKey of O-[butyl-di(propanethioyloxy)stannyl] propanethioate?
The InChIKey is YEIJNSBQRZEPBE-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9.3C3H6OS.Sn/c1-3-4-2;3*1-2-3(4)5;/h1,3-4H2,2H3;3*2H2,1H3,(H,4,5);/q;;;;+3/p-3.
What are the key properties of O-[butyl-di(propanethioyloxy)stannyl] propanethioate?
O-[butyl-di(propanethioyloxy)stannyl] propanethioate has a molecular weight of 443.24 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[butyl-di(propanethioyloxy)stannyl] propanethioate is sourced from PubChem (CID 139915092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).