bis(6-methylheptyltin(3+));trisulfide

C16H34S3Sn2 — CID 173414531

IUPACbis(6-methylheptyltin(3+));trisulfide
SMILESCC(C)CCCCC[Sn+3].CC(C)CCCCC[Sn+3].[S-2].[S-2].[S-2]
InChIInChI=1S/2C8H17.3S.2Sn/c2*1-4-5-6-7-8(2)3;;;;;/h2*8H,1,4-7H2,2-3H3;;;;;/q;;3*-2;2*+3
InChIKeyNJLNEAUWUQDKFH-UHFFFAOYSA-N
MW560.07 g/mol
LogP5.57
Rot. Bonds10

About bis(6-methylheptyltin(3+));trisulfide

bis(6-methylheptyltin(3+));trisulfide (PubChem CID 173414531) has the molecular formula C16H34S3Sn2 and a molecular weight of 560.07 g/mol. Its IUPAC name is bis(6-methylheptyltin(3+));trisulfide.

Molecular Properties

Compound Namebis(6-methylheptyltin(3+));trisulfide
PubChem CID173414531
Molecular FormulaC16H34S3Sn2
Molecular Weight560.07 g/mol
Exact Mass561.99
IUPAC Namebis(6-methylheptyltin(3+));trisulfide
SMILESCC(C)CCCCC[Sn+3].CC(C)CCCCC[Sn+3].[S-2].[S-2].[S-2]
InChIInChI=1S/2C8H17.3S.2Sn/c2*1-4-5-6-7-8(2)3;;;;;/h2*8H,1,4-7H2,2-3H3;;;;;/q;;3*-2;2*+3
InChIKeyNJLNEAUWUQDKFH-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.07
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
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2,22-dimethyltricosane
CID 58100191
CID 164942891
CID 164942891
tris(8-methylnonanethioate);octyltin(3+)
CID 160873202
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
bis(butyltin(3+));tetrakis(8-methyl-2-sulfanylnonanoate);sulfide
CID 23056139
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
22-methyltricosylphosphanium bromide
CID 87821946
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147

Frequently Asked Questions

What is the IUPAC name of bis(6-methylheptyltin(3+));trisulfide?
The IUPAC name of bis(6-methylheptyltin(3+));trisulfide (CID 173414531) is bis(6-methylheptyltin(3+));trisulfide.
What is the SMILES notation for bis(6-methylheptyltin(3+));trisulfide?
The canonical SMILES for bis(6-methylheptyltin(3+));trisulfide is CC(C)CCCCC[Sn+3].CC(C)CCCCC[Sn+3].[S-2].[S-2].[S-2].
What is the InChIKey of bis(6-methylheptyltin(3+));trisulfide?
The InChIKey is NJLNEAUWUQDKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.3S.2Sn/c2*1-4-5-6-7-8(2)3;;;;;/h2*8H,1,4-7H2,2-3H3;;;;;/q;;3*-2;2*+3.
What are the key properties of bis(6-methylheptyltin(3+));trisulfide?
bis(6-methylheptyltin(3+));trisulfide has a molecular weight of 560.07 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-methylheptyltin(3+));trisulfide is sourced from PubChem (CID 173414531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).