3-tributylstannylpropane-1-thiol

C15H34SSn — CID 21115527

IUPAC3-tributylstannylpropane-1-thiol
SMILESCCCC[Sn](CCCC)(CCCC)CCCS
InChIInChI=1S/3C4H9.C3H7S.Sn/c3*1-3-4-2;1-2-3-4;/h3*1,3-4H2,2H3;4H,1-3H2;
InChIKeyGGMFQRKBWIZUFS-UHFFFAOYSA-N
MW365.22 g/mol
LogP6.16
Rot. Bonds12

About 3-tributylstannylpropane-1-thiol

3-tributylstannylpropane-1-thiol (PubChem CID 21115527) has the molecular formula C15H34SSn and a molecular weight of 365.22 g/mol. Its IUPAC name is 3-tributylstannylpropane-1-thiol.

Molecular Properties

Compound Name3-tributylstannylpropane-1-thiol
PubChem CID21115527
Molecular FormulaC15H34SSn
Molecular Weight365.22 g/mol
Exact Mass366.14
IUPAC Name3-tributylstannylpropane-1-thiol
SMILESCCCC[Sn](CCCC)(CCCC)CCCS
InChIInChI=1S/3C4H9.C3H7S.Sn/c3*1-3-4-2;1-2-3-4;/h3*1,3-4H2,2H3;4H,1-3H2;
InChIKeyGGMFQRKBWIZUFS-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.22
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylstannane
CID 160899301
tetrabutylstannane;hydrate
CID 87560971
tributyl(hexadecyl)stannane
CID 174658060
butyl(trioctyl)stannane;hydrochloride
CID 175572560
diheptyl(dioctyl)stannane
CID 152736724
butane-1-thiol;silane
CID 157290532
butane-1-thiol;hydrofluoride
CID 161154336
dodecane-1-thiol;methanol
CID 160961310
lithium tributyl(propyl)stannane
CID 11348350
decane-1-thiol;undecane-1-thiol
CID 174806736
decane-1-thiol
CID 8917
octadecane-1-thiol;octane-1-thiol
CID 158706451

Frequently Asked Questions

What is the IUPAC name of 3-tributylstannylpropane-1-thiol?
The IUPAC name of 3-tributylstannylpropane-1-thiol (CID 21115527) is 3-tributylstannylpropane-1-thiol.
What is the SMILES notation for 3-tributylstannylpropane-1-thiol?
The canonical SMILES for 3-tributylstannylpropane-1-thiol is CCCC[Sn](CCCC)(CCCC)CCCS.
What is the InChIKey of 3-tributylstannylpropane-1-thiol?
The InChIKey is GGMFQRKBWIZUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H7S.Sn/c3*1-3-4-2;1-2-3-4;/h3*1,3-4H2,2H3;4H,1-3H2;.
What are the key properties of 3-tributylstannylpropane-1-thiol?
3-tributylstannylpropane-1-thiol has a molecular weight of 365.22 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tributylstannylpropane-1-thiol is sourced from PubChem (CID 21115527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).