1,1,4-trimethylsilolane-2-thiol

C7H16SSi — CID 176891485

IUPAC1,1,4-trimethylsilolane-2-thiol
SMILESCC1CC(S)[Si](C)(C)C1
InChIInChI=1S/C7H16SSi/c1-6-4-7(8)9(2,3)5-6/h6-8H,4-5H2,1-3H3
InChIKeyJXIRMXNHWLFRPM-UHFFFAOYSA-N
MW160.36 g/mol
LogP2.57
Rot. Bonds

About 1,1,4-trimethylsilolane-2-thiol

1,1,4-trimethylsilolane-2-thiol (PubChem CID 176891485) has the molecular formula C7H16SSi and a molecular weight of 160.36 g/mol. Its IUPAC name is 1,1,4-trimethylsilolane-2-thiol.

Molecular Properties

Compound Name1,1,4-trimethylsilolane-2-thiol
PubChem CID176891485
Molecular FormulaC7H16SSi
Molecular Weight160.36 g/mol
Exact Mass160.07
IUPAC Name1,1,4-trimethylsilolane-2-thiol
SMILESCC1CC(S)[Si](C)(C)C1
InChIInChI=1S/C7H16SSi/c1-6-4-7(8)9(2,3)5-6/h6-8H,4-5H2,1-3H3
InChIKeyJXIRMXNHWLFRPM-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.36
LogP ≤ 52.57
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

methyl-(1,1,4-trimethylsilolan-2-yl)diazene
CID 67145067
1-chloro-1,3-dimethylsiletane
CID 564198
2-methylcyclopropane-1-thiol
CID 123630782
(2R,6S)-2,6-dimethyloxane-4-thiol
CID 86706716
1-(1,3-dimethylsiletan-1-yl)oxy-1,3-dimethylsiletane
CID 71387894
2-chloro-2,4-dimethyloxasilolane
CID 15389995
(4R,5S)-1,1,3,3,4,5-hexamethyl-1,3-disilolane
CID 91481899
(1R,3S)-1-chloro-1,3-dimethylsilinane
CID 91719393
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
1,2,2,4-tetramethylazasilolidine
CID 11332536
(3R)-3-methylbicyclo[4.3.3]dodecane
CID 140778138
cis-(1S,2R)-1-chloro-2-methylcyclopropane
CID 130909377

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trimethylsilolane-2-thiol?
The IUPAC name of 1,1,4-trimethylsilolane-2-thiol (CID 176891485) is 1,1,4-trimethylsilolane-2-thiol.
What is the SMILES notation for 1,1,4-trimethylsilolane-2-thiol?
The canonical SMILES for 1,1,4-trimethylsilolane-2-thiol is CC1CC(S)[Si](C)(C)C1.
What is the InChIKey of 1,1,4-trimethylsilolane-2-thiol?
The InChIKey is JXIRMXNHWLFRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16SSi/c1-6-4-7(8)9(2,3)5-6/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,1,4-trimethylsilolane-2-thiol?
1,1,4-trimethylsilolane-2-thiol has a molecular weight of 160.36 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trimethylsilolane-2-thiol is sourced from PubChem (CID 176891485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).