2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane

C16H26S2Sn — CID 71397911

IUPAC2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane
SMILESCCCC[Sn]1(CCCC)SCC(c2ccccc2)S1
InChIInChI=1S/C8H10S2.2C4H9.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8-10H,6H2;2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKeyRIKFKFTZJUCCQO-UHFFFAOYSA-L
MW401.23 g/mol
LogP6.25
Rot. Bonds7

About 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane

2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane (PubChem CID 71397911) has the molecular formula C16H26S2Sn and a molecular weight of 401.23 g/mol. Its IUPAC name is 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane.

Molecular Properties

Compound Name2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane
PubChem CID71397911
Molecular FormulaC16H26S2Sn
Molecular Weight401.23 g/mol
Exact Mass402.05
IUPAC Name2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane
SMILESCCCC[Sn]1(CCCC)SCC(c2ccccc2)S1
InChIInChI=1S/C8H10S2.2C4H9.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8-10H,6H2;2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKeyRIKFKFTZJUCCQO-UHFFFAOYSA-L
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.23
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane
CID 16695949
2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane
CID 71346298
butyl(phenyl)iodanium
CID 87304112
(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane
CID 124629679
[(1R,2R)-2-butoxycyclopropyl]benzene
CID 13263839
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840
[(2S)-2-butoxycyclopropyl]benzene
CID 90226086
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
(2-butylcyclopentyl)benzene
CID 20616758
2,6-diphenyl-1,4-dithiane
CID 15501260
(3-butylcyclopent-2-en-1-yl)benzene
CID 13199080
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane?
The IUPAC name of 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane (CID 71397911) is 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane.
What is the SMILES notation for 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane?
The canonical SMILES for 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane is CCCC[Sn]1(CCCC)SCC(c2ccccc2)S1.
What is the InChIKey of 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane?
The InChIKey is RIKFKFTZJUCCQO-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10S2.2C4H9.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8-10H,6H2;2*1,3-4H2,2H3;/q;;;+2/p-2.
What are the key properties of 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane?
2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane has a molecular weight of 401.23 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane is sourced from PubChem (CID 71397911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).