dipropoxysilylmethanethiol

C7H18O2SSi — CID 123201678

IUPACdipropoxysilylmethanethiol
SMILESCCCO[SiH](CS)OCCC
InChIInChI=1S/C7H18O2SSi/c1-3-5-8-11(7-10)9-6-4-2/h10-11H,3-7H2,1-2H3
InChIKeyAMKVZQXZUHPMLQ-UHFFFAOYSA-N
MW194.37 g/mol
LogP1.53
Rot. Bonds7

About dipropoxysilylmethanethiol

dipropoxysilylmethanethiol (PubChem CID 123201678) has the molecular formula C7H18O2SSi and a molecular weight of 194.37 g/mol. Its IUPAC name is dipropoxysilylmethanethiol.

Molecular Properties

Compound Namedipropoxysilylmethanethiol
PubChem CID123201678
Molecular FormulaC7H18O2SSi
Molecular Weight194.37 g/mol
Exact Mass194.08
IUPAC Namedipropoxysilylmethanethiol
SMILESCCCO[SiH](CS)OCCC
InChIInChI=1S/C7H18O2SSi/c1-3-5-8-11(7-10)9-6-4-2/h10-11H,3-7H2,1-2H3
InChIKeyAMKVZQXZUHPMLQ-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloropropyl(dipropoxy)silane
CID 123436656
but-2-enyl(dipropoxy)silane
CID 173322112
2-dipropoxysilyl-N,N-dimethylethanamine
CID 123245425
tert-butyl(dipropoxy)silane
CID 123871390
methyl-[2-[methyl(propoxy)silyl]ethyl]-propoxysilane
CID 59538054
isocyanic acid;pentyl(dipropoxy)silane
CID 172700048
dibutoxy(3-dibutoxysilylpropyl)silane
CID 123992864
dipropoxy(undec-10-enyl)silane
CID 123425466
dipentoxy(propyl)silane
CID 123345702
3-dipentoxysilylpropyl(dipentoxy)silane
CID 123859896
N-(3-dipropoxysilylpropyl)butan-2-imine
CID 123900249
N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine
CID 123412814

Frequently Asked Questions

What is the IUPAC name of dipropoxysilylmethanethiol?
The IUPAC name of dipropoxysilylmethanethiol (CID 123201678) is dipropoxysilylmethanethiol.
What is the SMILES notation for dipropoxysilylmethanethiol?
The canonical SMILES for dipropoxysilylmethanethiol is CCCO[SiH](CS)OCCC.
What is the InChIKey of dipropoxysilylmethanethiol?
The InChIKey is AMKVZQXZUHPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O2SSi/c1-3-5-8-11(7-10)9-6-4-2/h10-11H,3-7H2,1-2H3.
What are the key properties of dipropoxysilylmethanethiol?
dipropoxysilylmethanethiol has a molecular weight of 194.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxysilylmethanethiol is sourced from PubChem (CID 123201678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).