2-trimethoxysilylpropane-1,1,1-trithiol

C6H16O3S3Si — CID 176900070

IUPAC2-trimethoxysilylpropane-1,1,1-trithiol
SMILESCO[Si](OC)(OC)C(C)C(S)(S)S
InChIInChI=1S/C6H16O3S3Si/c1-5(6(10,11)12)13(7-2,8-3)9-4/h5,10-12H,1-4H3
InChIKeyNECZYCHZSFBQNR-UHFFFAOYSA-N
MW260.48 g/mol
LogP1.70
Rot. Bonds5

About 2-trimethoxysilylpropane-1,1,1-trithiol

2-trimethoxysilylpropane-1,1,1-trithiol (PubChem CID 176900070) has the molecular formula C6H16O3S3Si and a molecular weight of 260.48 g/mol. Its IUPAC name is 2-trimethoxysilylpropane-1,1,1-trithiol.

Molecular Properties

Compound Name2-trimethoxysilylpropane-1,1,1-trithiol
PubChem CID176900070
Molecular FormulaC6H16O3S3Si
Molecular Weight260.48 g/mol
Exact Mass260.00
IUPAC Name2-trimethoxysilylpropane-1,1,1-trithiol
SMILESCO[Si](OC)(OC)C(C)C(S)(S)S
InChIInChI=1S/C6H16O3S3Si/c1-5(6(10,11)12)13(7-2,8-3)9-4/h5,10-12H,1-4H3
InChIKeyNECZYCHZSFBQNR-UHFFFAOYSA-N
XLogP1.70
TPSA27.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.48
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2-tris(trimethoxysilyl)propan-1-amine
CID 87790807
1,1-dichloropropan-2-yl(trimethoxy)silane
CID 57128304
2-trimethoxysilylpropanoic acid
CID 19100244
2-trimethoxysilylpropanethial
CID 87594272
cyclopropane;1-trimethoxysilylethanamine
CID 90021188
(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine
CID 99865004
N'-(1-trimethoxysilylethyl)ethane-1,2-diamine
CID 21267592
[4-[dimethoxy(methyl)silyl]-3-[1-[dimethoxy(methyl)silyl]ethyl]-3-silylpentan-2-yl]-dimethoxy-methylsilane
CID 173168674
N-[bis(trimethoxysilyl)methyl]ethanamine
CID 174997773
2-methyl-1-trimethoxysilylbutane-1,3-diamine
CID 174876131
[dimethoxy(propan-2-yl)silyl]oxymethanamine
CID 154110052
1-isocyanatoethyl(trimethoxy)silane
CID 22238674

Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylpropane-1,1,1-trithiol?
The IUPAC name of 2-trimethoxysilylpropane-1,1,1-trithiol (CID 176900070) is 2-trimethoxysilylpropane-1,1,1-trithiol.
What is the SMILES notation for 2-trimethoxysilylpropane-1,1,1-trithiol?
The canonical SMILES for 2-trimethoxysilylpropane-1,1,1-trithiol is CO[Si](OC)(OC)C(C)C(S)(S)S.
What is the InChIKey of 2-trimethoxysilylpropane-1,1,1-trithiol?
The InChIKey is NECZYCHZSFBQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3S3Si/c1-5(6(10,11)12)13(7-2,8-3)9-4/h5,10-12H,1-4H3.
What are the key properties of 2-trimethoxysilylpropane-1,1,1-trithiol?
2-trimethoxysilylpropane-1,1,1-trithiol has a molecular weight of 260.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylpropane-1,1,1-trithiol is sourced from PubChem (CID 176900070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).