tributyl-(2-deuterio-1,3-dithian-2-yl)stannane

C16H34S2Sn — CID 12015330

IUPACtributyl-(2-deuterio-1,3-dithian-2-yl)stannane
SMILES[2H]C1([Sn](CCCC)(CCCC)CCCC)SCCCS1
InChIInChI=1S/C4H7S2.3C4H9.Sn/c1-2-5-4-6-3-1;3*1-3-4-2;/h4H,1-3H2;3*1,3-4H2,2H3;/i4D;;;;
InChIKeyMVAYCCARYJVKHY-ZIXQYCOMSA-N
MW410.30 g/mol
LogP6.57
Rot. Bonds10

About tributyl-(2-deuterio-1,3-dithian-2-yl)stannane

tributyl-(2-deuterio-1,3-dithian-2-yl)stannane (PubChem CID 12015330) has the molecular formula C16H34S2Sn and a molecular weight of 410.30 g/mol. Its IUPAC name is tributyl-(2-deuterio-1,3-dithian-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-deuterio-1,3-dithian-2-yl)stannane
PubChem CID12015330
Molecular FormulaC16H34S2Sn
Molecular Weight410.30 g/mol
Exact Mass411.12
IUPAC Nametributyl-(2-deuterio-1,3-dithian-2-yl)stannane
SMILES[2H]C1([Sn](CCCC)(CCCC)CCCC)SCCCS1
InChIInChI=1S/C4H7S2.3C4H9.Sn/c1-2-5-4-6-3-1;3*1-3-4-2;/h4H,1-3H2;3*1,3-4H2,2H3;/i4D;;;;
InChIKeyMVAYCCARYJVKHY-ZIXQYCOMSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-hept-1-ynyl-1,3-dithiane
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2-[(Z)-oct-1-enyl]-1,3-dithiane
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tributyl(2-deuterio(1,2-14C2)ethynyl)stannane
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(4R,5S)-4-[5-(1,3-dithian-2-yl)pentyl]-2,2-dimethyl-5-octyl-1,3-dioxolane
CID 11761237
butyl 1,3-dithiane-2-carboxylate
CID 88883458
2-[(2S)-2-methyloctyl]-1,3-dithiane
CID 11447987
1-(thiolan-2-yl)hexan-1-amine
CID 80622704
2-dodecylthiane
CID 14420052
2-methyl-N-octylthian-3-amine
CID 115567011

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-deuterio-1,3-dithian-2-yl)stannane?
The IUPAC name of tributyl-(2-deuterio-1,3-dithian-2-yl)stannane (CID 12015330) is tributyl-(2-deuterio-1,3-dithian-2-yl)stannane.
What is the SMILES notation for tributyl-(2-deuterio-1,3-dithian-2-yl)stannane?
The canonical SMILES for tributyl-(2-deuterio-1,3-dithian-2-yl)stannane is [2H]C1([Sn](CCCC)(CCCC)CCCC)SCCCS1.
What is the InChIKey of tributyl-(2-deuterio-1,3-dithian-2-yl)stannane?
The InChIKey is MVAYCCARYJVKHY-ZIXQYCOMSA-N. The full InChI is InChI=1S/C4H7S2.3C4H9.Sn/c1-2-5-4-6-3-1;3*1-3-4-2;/h4H,1-3H2;3*1,3-4H2,2H3;/i4D;;;;.
What are the key properties of tributyl-(2-deuterio-1,3-dithian-2-yl)stannane?
tributyl-(2-deuterio-1,3-dithian-2-yl)stannane has a molecular weight of 410.30 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-deuterio-1,3-dithian-2-yl)stannane is sourced from PubChem (CID 12015330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).