3,3,3-tris(methoxysilyl)propane-1-thiol

C6H20O3SSi3 — CID 123836993

IUPAC3,3,3-tris(methoxysilyl)propane-1-thiol
SMILESCO[SiH2]C(CCS)([SiH2]OC)[SiH2]OC
InChIInChI=1S/C6H20O3SSi3/c1-7-11-6(4-5-10,12-8-2)13-9-3/h10H,4-5,11-13H2,1-3H3
InChIKeyHIOYDZDAAVTAGF-UHFFFAOYSA-N
MW256.55 g/mol
LogP-1.43
Rot. Bonds8

About 3,3,3-tris(methoxysilyl)propane-1-thiol

3,3,3-tris(methoxysilyl)propane-1-thiol (PubChem CID 123836993) has the molecular formula C6H20O3SSi3 and a molecular weight of 256.55 g/mol. Its IUPAC name is 3,3,3-tris(methoxysilyl)propane-1-thiol.

Molecular Properties

Compound Name3,3,3-tris(methoxysilyl)propane-1-thiol
PubChem CID123836993
Molecular FormulaC6H20O3SSi3
Molecular Weight256.55 g/mol
Exact Mass256.04
IUPAC Name3,3,3-tris(methoxysilyl)propane-1-thiol
SMILESCO[SiH2]C(CCS)([SiH2]OC)[SiH2]OC
InChIInChI=1S/C6H20O3SSi3/c1-7-11-6(4-5-10,12-8-2)13-9-3/h10H,4-5,11-13H2,1-3H3
InChIKeyHIOYDZDAAVTAGF-UHFFFAOYSA-N
XLogP-1.43
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.55
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methoxy-[1,1,2,2,2-pentakis(methoxysilyl)ethyl]silane
CID 123767373
3-ethoxysilyl-3-methylbutane-1-thiol
CID 154092584
methoxy(trifluoromethyl)silane
CID 123237730
chloromethane;dimethoxysilane
CID 159171647
3-methyl-3-(3-methyl-3-sulfanylbutoxy)butane-1-thiol
CID 134415804
1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol
CID 154212707
methoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
CID 173374467
3-methoxysilylpropane-1,1,1-trithiol
CID 123262087
methoxy(methyl)silane;propane
CID 123732406
azane;methyl 2,2-dimethyl-4-sulfanylbutanoate;hydrobromide
CID 173206443
methoxy-(4,4,4-trifluoro-2-methylbutan-2-yl)silane
CID 123735992
3-methoxysilyl-3-prop-2-enylhex-5-en-1-ol
CID 175562071

Frequently Asked Questions

What is the IUPAC name of 3,3,3-tris(methoxysilyl)propane-1-thiol?
The IUPAC name of 3,3,3-tris(methoxysilyl)propane-1-thiol (CID 123836993) is 3,3,3-tris(methoxysilyl)propane-1-thiol.
What is the SMILES notation for 3,3,3-tris(methoxysilyl)propane-1-thiol?
The canonical SMILES for 3,3,3-tris(methoxysilyl)propane-1-thiol is CO[SiH2]C(CCS)([SiH2]OC)[SiH2]OC.
What is the InChIKey of 3,3,3-tris(methoxysilyl)propane-1-thiol?
The InChIKey is HIOYDZDAAVTAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H20O3SSi3/c1-7-11-6(4-5-10,12-8-2)13-9-3/h10H,4-5,11-13H2,1-3H3.
What are the key properties of 3,3,3-tris(methoxysilyl)propane-1-thiol?
3,3,3-tris(methoxysilyl)propane-1-thiol has a molecular weight of 256.55 g/mol, XLogP of -1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-tris(methoxysilyl)propane-1-thiol is sourced from PubChem (CID 123836993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).