2-dimethylsilyloxane-2-thiol

C7H16OSSi — CID 123513196

IUPAC2-dimethylsilyloxane-2-thiol
SMILESC[SiH](C)C1(S)CCCCO1
InChIInChI=1S/C7H16OSSi/c1-10(2)7(9)5-3-4-6-8-7/h9-10H,3-6H2,1-2H3
InChIKeyUTDSRDKRINGBEP-UHFFFAOYSA-N
MW176.36 g/mol
LogP1.84
Rot. Bonds1

About 2-dimethylsilyloxane-2-thiol

2-dimethylsilyloxane-2-thiol (PubChem CID 123513196) has the molecular formula C7H16OSSi and a molecular weight of 176.36 g/mol. Its IUPAC name is 2-dimethylsilyloxane-2-thiol.

Molecular Properties

Compound Name2-dimethylsilyloxane-2-thiol
PubChem CID123513196
Molecular FormulaC7H16OSSi
Molecular Weight176.36 g/mol
Exact Mass176.07
IUPAC Name2-dimethylsilyloxane-2-thiol
SMILESC[SiH](C)C1(S)CCCCO1
InChIInChI=1S/C7H16OSSi/c1-10(2)7(9)5-3-4-6-8-7/h9-10H,3-6H2,1-2H3
InChIKeyUTDSRDKRINGBEP-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
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

(2R)-2-methyloxane-2-thiol
CID 177047771
CID 175359532
CID 175359532
1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
CID 173222317
dimethyl-[2-(2-silyloxan-2-yl)oxan-2-yl]silane;hydron
CID 175096926
1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
CID 175244889
(2-butyloxan-2-yl)-dimethylsilane
CID 123761011
dimethyl-(2-silyloxan-2-yl)oxysilane
CID 174849883
dimethyl-(2-silyloxan-2-yl)oxysilane;hydron
CID 174854703
dimethyl-(2-nonadecyloxan-2-yl)silane
CID 123381565
3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one
CID 173015630
[2-[(2-dimethylsilyloxan-2-yl)methyl]oxan-2-yl]-ethenyl-methylsilane
CID 173175504
2,2-dimethyloxane;methanamine
CID 144836185

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxane-2-thiol?
The IUPAC name of 2-dimethylsilyloxane-2-thiol (CID 123513196) is 2-dimethylsilyloxane-2-thiol.
What is the SMILES notation for 2-dimethylsilyloxane-2-thiol?
The canonical SMILES for 2-dimethylsilyloxane-2-thiol is C[SiH](C)C1(S)CCCCO1.
What is the InChIKey of 2-dimethylsilyloxane-2-thiol?
The InChIKey is UTDSRDKRINGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSSi/c1-10(2)7(9)5-3-4-6-8-7/h9-10H,3-6H2,1-2H3.
What are the key properties of 2-dimethylsilyloxane-2-thiol?
2-dimethylsilyloxane-2-thiol has a molecular weight of 176.36 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxane-2-thiol is sourced from PubChem (CID 123513196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).