bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide

C12H22O4S3Sn2 — CID 173205238

IUPACbis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide
SMILESCC(C)OC(=O)CC[Sn+3].CC(C)OC(=O)CC[Sn+3].[S-2].[S-2].[S-2]
InChIInChI=1S/2C6H11O2.3S.2Sn/c2*1-4-6(7)8-5(2)3;;;;;/h2*5H,1,4H2,2-3H3;;;;;/q;;3*-2;2*+3
InChIKeyXFOLTLKUMPDODH-UHFFFAOYSA-N
MW563.93 g/mol
LogP1.82
Rot. Bonds6

About bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide

bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide (PubChem CID 173205238) has the molecular formula C12H22O4S3Sn2 and a molecular weight of 563.93 g/mol. Its IUPAC name is bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide.

Molecular Properties

Compound Namebis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide
PubChem CID173205238
Molecular FormulaC12H22O4S3Sn2
Molecular Weight563.93 g/mol
Exact Mass565.87
IUPAC Namebis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide
SMILESCC(C)OC(=O)CC[Sn+3].CC(C)OC(=O)CC[Sn+3].[S-2].[S-2].[S-2]
InChIInChI=1S/2C6H11O2.3S.2Sn/c2*1-4-6(7)8-5(2)3;;;;;/h2*5H,1,4H2,2-3H3;;;;;/q;;3*-2;2*+3
InChIKeyXFOLTLKUMPDODH-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.93
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-chlorobutanoate
CID 527700
propan-2-yl 4-chloro-4-oxobutanoate
CID 15209176
dipropan-2-yl 4-hydroxyheptanedioate
CID 14639378
propan-2-yl 4-sulfanylbutanoate
CID 57187047
3-oxo-3-propan-2-yloxypropane-1-sulfonate
CID 156663671
propan-2-yl undecanoate
CID 3016538
propan-2-yl 6-methylheptanoate
CID 23338189
10-oxo-10-propan-2-yloxydecanoic acid
CID 10131064
propan-2-yl 4-(methoxycarbonylamino)butanoate
CID 14940599
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110
propan-2-yl 5-chlorohexanoate
CID 23047200
propan-2-yl 3-chlorosulfonylpropanoate
CID 21395637

Frequently Asked Questions

What is the IUPAC name of bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide?
The IUPAC name of bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide (CID 173205238) is bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide.
What is the SMILES notation for bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide?
The canonical SMILES for bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide is CC(C)OC(=O)CC[Sn+3].CC(C)OC(=O)CC[Sn+3].[S-2].[S-2].[S-2].
What is the InChIKey of bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide?
The InChIKey is XFOLTLKUMPDODH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11O2.3S.2Sn/c2*1-4-6(7)8-5(2)3;;;;;/h2*5H,1,4H2,2-3H3;;;;;/q;;3*-2;2*+3.
What are the key properties of bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide?
bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide has a molecular weight of 563.93 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide is sourced from PubChem (CID 173205238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).