bis(4-methylpentyl)-sulfanylidenetin

C12H26SSn — CID 88760992

IUPACbis(4-methylpentyl)-sulfanylidenetin
SMILESCC(C)CCC[Sn](=S)CCCC(C)C
InChIInChI=1S/2C6H13.S.Sn/c2*1-4-5-6(2)3;;/h2*6H,1,4-5H2,2-3H3;;
InChIKeyZFKOIQQNSAVQAC-UHFFFAOYSA-N
MW321.12 g/mol
LogP5.05
Rot. Bonds8

About bis(4-methylpentyl)-sulfanylidenetin

bis(4-methylpentyl)-sulfanylidenetin (PubChem CID 88760992) has the molecular formula C12H26SSn and a molecular weight of 321.12 g/mol. Its IUPAC name is bis(4-methylpentyl)-sulfanylidenetin.

Molecular Properties

Compound Namebis(4-methylpentyl)-sulfanylidenetin
PubChem CID88760992
Molecular FormulaC12H26SSn
Molecular Weight321.12 g/mol
Exact Mass322.08
IUPAC Namebis(4-methylpentyl)-sulfanylidenetin
SMILESCC(C)CCC[Sn](=S)CCCC(C)C
InChIInChI=1S/2C6H13.S.Sn/c2*1-4-5-6(2)3;;/h2*6H,1,4-5H2,2-3H3;;
InChIKeyZFKOIQQNSAVQAC-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.12
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
(4R)-2,2,4,8-tetramethylnonane-3-thione
CID 153306665
6-methylheptyl-λ2-stannane
CID 175215525
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
2,6-dimethylheptanethioamide
CID 54021693
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(E)-2,12-dimethyltridec-6-ene
CID 176630963
2-methylhexane;propane
CID 143695748
4-methylpentylazanium
CID 22348722

Frequently Asked Questions

What is the IUPAC name of bis(4-methylpentyl)-sulfanylidenetin?
The IUPAC name of bis(4-methylpentyl)-sulfanylidenetin (CID 88760992) is bis(4-methylpentyl)-sulfanylidenetin.
What is the SMILES notation for bis(4-methylpentyl)-sulfanylidenetin?
The canonical SMILES for bis(4-methylpentyl)-sulfanylidenetin is CC(C)CCC[Sn](=S)CCCC(C)C.
What is the InChIKey of bis(4-methylpentyl)-sulfanylidenetin?
The InChIKey is ZFKOIQQNSAVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.S.Sn/c2*1-4-5-6(2)3;;/h2*6H,1,4-5H2,2-3H3;;.
What are the key properties of bis(4-methylpentyl)-sulfanylidenetin?
bis(4-methylpentyl)-sulfanylidenetin has a molecular weight of 321.12 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylpentyl)-sulfanylidenetin is sourced from PubChem (CID 88760992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).