2-sulfanylethanol;tributylstannane

C14H34OSSn — CID 173446607

IUPAC2-sulfanylethanol;tributylstannane
SMILESCCCC[SnH](CCCC)CCCC.OCCS
InChIInChI=1S/3C4H9.C2H6OS.Sn.H/c3*1-3-4-2;3-1-2-4;;/h3*1,3-4H2,2H3;3-4H,1-2H2;;
InChIKeyWQSHJFOTMKASDK-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.52
Rot. Bonds10

About 2-sulfanylethanol;tributylstannane

2-sulfanylethanol;tributylstannane (PubChem CID 173446607) has the molecular formula C14H34OSSn and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-sulfanylethanol;tributylstannane.

Molecular Properties

Compound Name2-sulfanylethanol;tributylstannane
PubChem CID173446607
Molecular FormulaC14H34OSSn
Molecular Weight369.20 g/mol
Exact Mass370.14
IUPAC Name2-sulfanylethanol;tributylstannane
SMILESCCCC[SnH](CCCC)CCCC.OCCS
InChIInChI=1S/3C4H9.C2H6OS.Sn.H/c3*1-3-4-2;3-1-2-4;;/h3*1,3-4H2,2H3;3-4H,1-2H2;;
InChIKeyWQSHJFOTMKASDK-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tributylstannane
CID 5948
dibutyl(dodecyl)stannane
CID 175017009
butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)
CID 173333355
sodium butan-1-ol
CID 19366054
2-sulfanyl(1,2-13C2)ethanol
CID 71308868
dodecane-1-thiol;ethanol
CID 87337788
ethanol;tetradecane-1-thiol
CID 174895304
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
bis(butan-1-ol);cyclobutane
CID 140562216
2-sulfanylethanol;trihydrochloride
CID 162128674
CID 87670557
CID 87670557

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethanol;tributylstannane?
The IUPAC name of 2-sulfanylethanol;tributylstannane (CID 173446607) is 2-sulfanylethanol;tributylstannane.
What is the SMILES notation for 2-sulfanylethanol;tributylstannane?
The canonical SMILES for 2-sulfanylethanol;tributylstannane is CCCC[SnH](CCCC)CCCC.OCCS.
What is the InChIKey of 2-sulfanylethanol;tributylstannane?
The InChIKey is WQSHJFOTMKASDK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H6OS.Sn.H/c3*1-3-4-2;3-1-2-4;;/h3*1,3-4H2,2H3;3-4H,1-2H2;;.
What are the key properties of 2-sulfanylethanol;tributylstannane?
2-sulfanylethanol;tributylstannane has a molecular weight of 369.20 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethanol;tributylstannane is sourced from PubChem (CID 173446607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).