dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)

C22H44O4S2Sn — CID 22483602

IUPACdimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)
SMILESCC(C)CCCCCC(S)C(=O)[O-].CC(C)CCCCCC(S)C(=O)[O-].C[Sn+2]C
InChIInChI=1S/2C10H20O2S.2CH3.Sn/c2*1-8(2)6-4-3-5-7-9(13)10(11)12;;;/h2*8-9,13H,3-7H2,1-2H3,(H,11,12);2*1H3;/q;;;;+2/p-2
InChIKeyDRNPVWHEWZJIQL-UHFFFAOYSA-L
MW555.44 g/mol
LogP4.07
Rot. Bonds14

About dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)

dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate) (PubChem CID 22483602) has the molecular formula C22H44O4S2Sn and a molecular weight of 555.44 g/mol. Its IUPAC name is dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate).

Molecular Properties

Compound Namedimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)
PubChem CID22483602
Molecular FormulaC22H44O4S2Sn
Molecular Weight555.44 g/mol
Exact Mass556.17
IUPAC Namedimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)
SMILESCC(C)CCCCCC(S)C(=O)[O-].CC(C)CCCCCC(S)C(=O)[O-].C[Sn+2]C
InChIInChI=1S/2C10H20O2S.2CH3.Sn/c2*1-8(2)6-4-3-5-7-9(13)10(11)12;;;/h2*8-9,13H,3-7H2,1-2H3,(H,11,12);2*1H3;/q;;;;+2/p-2
InChIKeyDRNPVWHEWZJIQL-UHFFFAOYSA-L
XLogP4.07
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 160996174
CID 160996174
bis(butyltin(3+));tetrakis(8-methyl-2-sulfanylnonanoate);sulfide
CID 23056139
2,8-bis(sulfanyl)octanoate
CID 23298468
2-sulfanylheptanoate
CID 22594709
antimony(5+);pentakis(2-sulfanylhexanoate)
CID 173438016
tris(2-hydroxy-8-methylnonanoate);methyltin(3+)
CID 161250669
sodium 13-methyltetradecanoate
CID 44515571
tetrakis(7-methyloctanoate);zirconium(4+)
CID 57346765
calcium bis(16-methylheptadecanoate)
CID 6453880
2,16-dimethylheptadecan-6-one
CID 158111781
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647

Frequently Asked Questions

What is the IUPAC name of dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)?
The IUPAC name of dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate) (CID 22483602) is dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate).
What is the SMILES notation for dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)?
The canonical SMILES for dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate) is CC(C)CCCCCC(S)C(=O)[O-].CC(C)CCCCCC(S)C(=O)[O-].C[Sn+2]C.
What is the InChIKey of dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)?
The InChIKey is DRNPVWHEWZJIQL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-8(2)6-4-3-5-7-9(13)10(11)12;;;/h2*8-9,13H,3-7H2,1-2H3,(H,11,12);2*1H3;/q;;;;+2/p-2.
What are the key properties of dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)?
dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate) has a molecular weight of 555.44 g/mol, XLogP of 4.07, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate) is sourced from PubChem (CID 22483602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).