2-phenyl-1-trimethylsilylethanethiol

C11H18SSi — CID 3849322

IUPAC2-phenyl-1-trimethylsilylethanethiol
SMILESC[Si](C)(C)C(S)Cc1ccccc1
InChIInChI=1S/C11H18SSi/c1-13(2,3)11(12)9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyTUZLWDGHNCVUGL-UHFFFAOYSA-N
MW210.42 g/mol
LogP3.40
Rot. Bonds3

About 2-phenyl-1-trimethylsilylethanethiol

2-phenyl-1-trimethylsilylethanethiol (PubChem CID 3849322) has the molecular formula C11H18SSi and a molecular weight of 210.42 g/mol. Its IUPAC name is 2-phenyl-1-trimethylsilylethanethiol.

Molecular Properties

Compound Name2-phenyl-1-trimethylsilylethanethiol
PubChem CID3849322
Molecular FormulaC11H18SSi
Molecular Weight210.42 g/mol
Exact Mass210.09
IUPAC Name2-phenyl-1-trimethylsilylethanethiol
SMILESC[Si](C)(C)C(S)Cc1ccccc1
InChIInChI=1S/C11H18SSi/c1-13(2,3)11(12)9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyTUZLWDGHNCVUGL-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.42
LogP ≤ 53.40
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

[dimethyl(1-phenylpropan-2-yl)silyl]oxy-dimethyl-(1-phenylpropan-2-yl)silane
CID 67683953
(1S)-1-chloro-2-phenylethanethiol
CID 124584825
ethane;2-methylpropylbenzene
CID 162200929
(E)-1-phenylpent-3-en-2-ol
CID 15211245
1-amino-2-phenylethanethiol;1-phenylpropan-2-amine
CID 160760295
2-methyl-3-phenylpropane-1-thiol
CID 19981761
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
1,1,1-trifluoro-3-phenylpropane-2-thiol
CID 71774417
4-amino-1-phenylbutane-2-thiol
CID 87625270
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
2,3-dimethylbutylbenzene
CID 12054035

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-trimethylsilylethanethiol?
The IUPAC name of 2-phenyl-1-trimethylsilylethanethiol (CID 3849322) is 2-phenyl-1-trimethylsilylethanethiol.
What is the SMILES notation for 2-phenyl-1-trimethylsilylethanethiol?
The canonical SMILES for 2-phenyl-1-trimethylsilylethanethiol is C[Si](C)(C)C(S)Cc1ccccc1.
What is the InChIKey of 2-phenyl-1-trimethylsilylethanethiol?
The InChIKey is TUZLWDGHNCVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18SSi/c1-13(2,3)11(12)9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3.
What are the key properties of 2-phenyl-1-trimethylsilylethanethiol?
2-phenyl-1-trimethylsilylethanethiol has a molecular weight of 210.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-trimethylsilylethanethiol is sourced from PubChem (CID 3849322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).