butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane

C34H72O6S4Sn — CID 173245996

IUPACbutyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane
SMILESCCCCC(CC)CSCC(=O)O.CCCCC(CC)CSCC(=O)O.CCCCC(CC)CSCC(=O)O.CCCC[SnH].S
InChIInChI=1S/3C10H20O2S.C4H9.H2S.Sn.H/c3*1-3-5-6-9(4-2)7-13-8-10(11)12;1-3-4-2;;;/h3*9H,3-8H2,1-2H3,(H,11,12);1,3-4H2,2H3;1H2;;
InChIKeyBTNYYBIZFZBOQO-UHFFFAOYSA-N
MW823.92 g/mol
LogP10.28
Rot. Bonds26

About butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane

butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane (PubChem CID 173245996) has the molecular formula C34H72O6S4Sn and a molecular weight of 823.92 g/mol. Its IUPAC name is butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane.

Molecular Properties

Compound Namebutyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane
PubChem CID173245996
Molecular FormulaC34H72O6S4Sn
Molecular Weight823.92 g/mol
Exact Mass824.32
IUPAC Namebutyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane
SMILESCCCCC(CC)CSCC(=O)O.CCCCC(CC)CSCC(=O)O.CCCCC(CC)CSCC(=O)O.CCCC[SnH].S
InChIInChI=1S/3C10H20O2S.C4H9.H2S.Sn.H/c3*1-3-5-6-9(4-2)7-13-8-10(11)12;1-3-4-2;;;/h3*9H,3-8H2,1-2H3,(H,11,12);1,3-4H2,2H3;1H2;;
InChIKeyBTNYYBIZFZBOQO-UHFFFAOYSA-N
XLogP10.28
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.92
LogP ≤ 510.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid)
CID 173041967
antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)
CID 173393859
tris(2-(2-ethylhexylsulfanyl)acetate);methyltin(3+)
CID 161099104
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
3-(butylsulfanylmethyl)heptane
CID 54216540
1-(2-methylpropoxy)ethyl 2-(2-ethylhexylsulfanyl)acetate
CID 88603422
S-(2-ethylhexyl) 2-hydroxyethanethioate
CID 57180987
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)
CID 173393888
3-(2-ethylhexylsulfanyl)propan-1-amine
CID 66218302
3-(heptan-3-ylsulfanylmethyl)heptane
CID 134593171

Frequently Asked Questions

What is the IUPAC name of butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane?
The IUPAC name of butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane (CID 173245996) is butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane.
What is the SMILES notation for butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane?
The canonical SMILES for butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane is CCCCC(CC)CSCC(=O)O.CCCCC(CC)CSCC(=O)O.CCCCC(CC)CSCC(=O)O.CCCC[SnH].S.
What is the InChIKey of butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane?
The InChIKey is BTNYYBIZFZBOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H20O2S.C4H9.H2S.Sn.H/c3*1-3-5-6-9(4-2)7-13-8-10(11)12;1-3-4-2;;;/h3*9H,3-8H2,1-2H3,(H,11,12);1,3-4H2,2H3;1H2;;.
What are the key properties of butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane?
butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane has a molecular weight of 823.92 g/mol, XLogP of 10.28, 26 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane is sourced from PubChem (CID 173245996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).