2-methyl-3-silylpropane-1-thiol

C4H12SSi — CID 173464501

IUPAC2-methyl-3-silylpropane-1-thiol
SMILESCC(C[SiH3])CS
InChIInChI=1S/C4H12SSi/c1-4(2-5)3-6/h4-5H,2-3H2,1,6H3
InChIKeyHKJYSVLILBHENJ-UHFFFAOYSA-N
MW120.29 g/mol
LogP0.34
Rot. Bonds2

About 2-methyl-3-silylpropane-1-thiol

2-methyl-3-silylpropane-1-thiol (PubChem CID 173464501) has the molecular formula C4H12SSi and a molecular weight of 120.29 g/mol. Its IUPAC name is 2-methyl-3-silylpropane-1-thiol.

Molecular Properties

Compound Name2-methyl-3-silylpropane-1-thiol
PubChem CID173464501
Molecular FormulaC4H12SSi
Molecular Weight120.29 g/mol
Exact Mass120.04
IUPAC Name2-methyl-3-silylpropane-1-thiol
SMILESCC(C[SiH3])CS
InChIInChI=1S/C4H12SSi/c1-4(2-5)3-6/h4-5H,2-3H2,1,6H3
InChIKeyHKJYSVLILBHENJ-UHFFFAOYSA-N
XLogP0.34
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-3-silylpropan-1-amine
CID 174099993
(2R)-3-amino-2-methylpropane-1-thiol
CID 92974818
3-methoxy-2-methylpropane-1-thiol
CID 21429472
4-methyl-5-sulfanylpentan-2-ol
CID 54007604
3-methyl-4-sulfanylbutanenitrile
CID 57098048
2-methyldecane-1-thiol
CID 57124133
5-ethyl-2-methylheptane-1-thiol
CID 89234473
2-methylicosane-1-thiol
CID 87259428
(2S)-2,4-dimethylpent-4-ene-1-thiol
CID 89110247
1,3-dichloropropan-2-one;2-methylpropane-1,3-dithiol
CID 159337993
2-methyl-3-(2-methylbutylsulfanyl)propane-1-thiol
CID 107766506
2,3-dimethylbutane-1-thiol
CID 19937219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-silylpropane-1-thiol?
The IUPAC name of 2-methyl-3-silylpropane-1-thiol (CID 173464501) is 2-methyl-3-silylpropane-1-thiol.
What is the SMILES notation for 2-methyl-3-silylpropane-1-thiol?
The canonical SMILES for 2-methyl-3-silylpropane-1-thiol is CC(C[SiH3])CS.
What is the InChIKey of 2-methyl-3-silylpropane-1-thiol?
The InChIKey is HKJYSVLILBHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12SSi/c1-4(2-5)3-6/h4-5H,2-3H2,1,6H3.
What are the key properties of 2-methyl-3-silylpropane-1-thiol?
2-methyl-3-silylpropane-1-thiol has a molecular weight of 120.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-silylpropane-1-thiol is sourced from PubChem (CID 173464501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).