1-propan-2-yloxysilylpropane-1-thiol

C6H16OSSi — CID 173082930

IUPAC1-propan-2-yloxysilylpropane-1-thiol
SMILESCCC(S)[SiH2]OC(C)C
InChIInChI=1S/C6H16OSSi/c1-4-6(8)9-7-5(2)3/h5-6,8H,4,9H2,1-3H3
InChIKeyARAIIXMKUNWALH-UHFFFAOYSA-N
MW164.35 g/mol
LogP1.16
Rot. Bonds4

About 1-propan-2-yloxysilylpropane-1-thiol

1-propan-2-yloxysilylpropane-1-thiol (PubChem CID 173082930) has the molecular formula C6H16OSSi and a molecular weight of 164.35 g/mol. Its IUPAC name is 1-propan-2-yloxysilylpropane-1-thiol.

Molecular Properties

Compound Name1-propan-2-yloxysilylpropane-1-thiol
PubChem CID173082930
Molecular FormulaC6H16OSSi
Molecular Weight164.35 g/mol
Exact Mass164.07
IUPAC Name1-propan-2-yloxysilylpropane-1-thiol
SMILESCCC(S)[SiH2]OC(C)C
InChIInChI=1S/C6H16OSSi/c1-4-6(8)9-7-5(2)3/h5-6,8H,4,9H2,1-3H3
InChIKeyARAIIXMKUNWALH-UHFFFAOYSA-N
XLogP1.16
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3,5-dimethylheptan-4-yl(propan-2-yloxy)silane
CID 173036670
1-propan-2-yloxysilylpropan-1-amine
CID 173191658
1-iodopropyl(propan-2-yloxy)silane
CID 175551642
propan-2-yl(propan-2-yloxy)silane
CID 123565632
1-(1,1-dimethoxyethoxysilyl)propane-1-thiol
CID 173458875
butan-2-yloxy(propan-2-yloxy)silane
CID 150607923
(4R)-3-ethyl-4-methylhexane
CID 59954491
4-methylhexane-2-thiol
CID 118408807
methyl(propan-2-yloxy)silane
CID 123247650
2-propan-2-yloxysilylpropanoic acid
CID 175048913
1-tri(propan-2-yloxy)silylpropane-1-thiol
CID 87195063
(2R,3S)-3-methyl-2-sulfanylpentanoic acid
CID 55302342

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxysilylpropane-1-thiol?
The IUPAC name of 1-propan-2-yloxysilylpropane-1-thiol (CID 173082930) is 1-propan-2-yloxysilylpropane-1-thiol.
What is the SMILES notation for 1-propan-2-yloxysilylpropane-1-thiol?
The canonical SMILES for 1-propan-2-yloxysilylpropane-1-thiol is CCC(S)[SiH2]OC(C)C.
What is the InChIKey of 1-propan-2-yloxysilylpropane-1-thiol?
The InChIKey is ARAIIXMKUNWALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSSi/c1-4-6(8)9-7-5(2)3/h5-6,8H,4,9H2,1-3H3.
What are the key properties of 1-propan-2-yloxysilylpropane-1-thiol?
1-propan-2-yloxysilylpropane-1-thiol has a molecular weight of 164.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxysilylpropane-1-thiol is sourced from PubChem (CID 173082930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).