3-[methyl(sulfanyl)silyl]propane-1-thiol

C4H12S2Si — CID 150871818

IUPAC3-[methyl(sulfanyl)silyl]propane-1-thiol
SMILESC[SiH](S)CCCS
InChIInChI=1S/C4H12S2Si/c1-7(6)4-2-3-5/h5-7H,2-4H2,1H3
InChIKeyKUERFFKOHPDHMU-UHFFFAOYSA-N
MW152.36 g/mol
LogP1.59
Rot. Bonds3

About 3-[methyl(sulfanyl)silyl]propane-1-thiol

3-[methyl(sulfanyl)silyl]propane-1-thiol (PubChem CID 150871818) has the molecular formula C4H12S2Si and a molecular weight of 152.36 g/mol. Its IUPAC name is 3-[methyl(sulfanyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[methyl(sulfanyl)silyl]propane-1-thiol
PubChem CID150871818
Molecular FormulaC4H12S2Si
Molecular Weight152.36 g/mol
Exact Mass152.01
IUPAC Name3-[methyl(sulfanyl)silyl]propane-1-thiol
SMILESC[SiH](S)CCCS
InChIInChI=1S/C4H12S2Si/c1-7(6)4-2-3-5/h5-7H,2-4H2,1H3
InChIKeyKUERFFKOHPDHMU-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
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

bis(3-aminopropane-1-thiol);hydrate
CID 18625286
6-aminohexane-1-thiol
CID 12841471
33-aminotritriacontane-1-thiol
CID 87682293
3-(1-aminopropan-2-ylamino)propane-1-thiol
CID 54076736
6-aminohexane-1-thiol;hydrochloride
CID 22274759
aminomethyl-dimethyl-(3-sulfanylpropyl)azanium
CID 126665050
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
3-[[dimethyl(silyloxy)silyl]silyloxy-methylsilyl]propane-1-thiol
CID 173293784
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
1-[silyloxy(3-sulfanylpropyl)silyl]ethanone
CID 173023505
3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol
CID 154305569

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(sulfanyl)silyl]propane-1-thiol?
The IUPAC name of 3-[methyl(sulfanyl)silyl]propane-1-thiol (CID 150871818) is 3-[methyl(sulfanyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[methyl(sulfanyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[methyl(sulfanyl)silyl]propane-1-thiol is C[SiH](S)CCCS.
What is the InChIKey of 3-[methyl(sulfanyl)silyl]propane-1-thiol?
The InChIKey is KUERFFKOHPDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12S2Si/c1-7(6)4-2-3-5/h5-7H,2-4H2,1H3.
What are the key properties of 3-[methyl(sulfanyl)silyl]propane-1-thiol?
3-[methyl(sulfanyl)silyl]propane-1-thiol has a molecular weight of 152.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(sulfanyl)silyl]propane-1-thiol is sourced from PubChem (CID 150871818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).