1-propylsulfanylpropane;trichlorogallane

C6H14Cl3GaS — CID 139244115

IUPAC1-propylsulfanylpropane;trichlorogallane
SMILESCCCSCCC.Cl[Ga](Cl)Cl
InChIInChI=1S/C6H14S.3ClH.Ga/c1-3-5-7-6-4-2;;;;/h3-6H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyUHPBAUMZDRXKLW-UHFFFAOYSA-K
MW294.33 g/mol
LogP4.23
Rot. Bonds4

About 1-propylsulfanylpropane;trichlorogallane

1-propylsulfanylpropane;trichlorogallane (PubChem CID 139244115) has the molecular formula C6H14Cl3GaS and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-propylsulfanylpropane;trichlorogallane.

Molecular Properties

Compound Name1-propylsulfanylpropane;trichlorogallane
PubChem CID139244115
Molecular FormulaC6H14Cl3GaS
Molecular Weight294.33 g/mol
Exact Mass291.91
IUPAC Name1-propylsulfanylpropane;trichlorogallane
SMILESCCCSCCC.Cl[Ga](Cl)Cl
InChIInChI=1S/C6H14S.3ClH.Ga/c1-3-5-7-6-4-2;;;;/h3-6H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyUHPBAUMZDRXKLW-UHFFFAOYSA-K
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanol;1-propylsulfanylpropane
CID 175163753
1-propylsulfanylhexadecane
CID 19914808
ethylsulfanylethane;1-ethylsulfanylpropane
CID 91509545
chloro(propylsulfanylmethyl)phosphane
CID 170850903
3-propylsulfanylpropane-1,1-dithiol
CID 59449399
1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane
CID 12636145
propane-1,2-diol;1-propylsulfanylpropane
CID 174932498
1-bromo-4-propylsulfanylbutane
CID 43445847
2-propylsulfanylethoxysilane
CID 175536528
3-propylsulfanyl-1-sulfanylpropan-1-ol
CID 21487432
3-methyl-5-propylsulfanylpent-2-ene
CID 90887572
5-propylsulfanylpent-1-yne
CID 87245877

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylpropane;trichlorogallane?
The IUPAC name of 1-propylsulfanylpropane;trichlorogallane (CID 139244115) is 1-propylsulfanylpropane;trichlorogallane.
What is the SMILES notation for 1-propylsulfanylpropane;trichlorogallane?
The canonical SMILES for 1-propylsulfanylpropane;trichlorogallane is CCCSCCC.Cl[Ga](Cl)Cl.
What is the InChIKey of 1-propylsulfanylpropane;trichlorogallane?
The InChIKey is UHPBAUMZDRXKLW-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H14S.3ClH.Ga/c1-3-5-7-6-4-2;;;;/h3-6H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1-propylsulfanylpropane;trichlorogallane?
1-propylsulfanylpropane;trichlorogallane has a molecular weight of 294.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylpropane;trichlorogallane is sourced from PubChem (CID 139244115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).