3-phenylsulfanyl-1-trimethylsilylbutan-1-ol

C13H22OSSi — CID 11118630

IUPAC3-phenylsulfanyl-1-trimethylsilylbutan-1-ol
SMILESCC(CC(O)[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-11(10-13(14)16(2,3)4)15-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3
InChIKeyKMCBBWUDYHOJMW-UHFFFAOYSA-N
MW254.47 g/mol
LogP3.80
Rot. Bonds5

About 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol

3-phenylsulfanyl-1-trimethylsilylbutan-1-ol (PubChem CID 11118630) has the molecular formula C13H22OSSi and a molecular weight of 254.47 g/mol. Its IUPAC name is 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol.

Molecular Properties

Compound Name3-phenylsulfanyl-1-trimethylsilylbutan-1-ol
PubChem CID11118630
Molecular FormulaC13H22OSSi
Molecular Weight254.47 g/mol
Exact Mass254.12
IUPAC Name3-phenylsulfanyl-1-trimethylsilylbutan-1-ol
SMILESCC(CC(O)[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-11(10-13(14)16(2,3)4)15-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3
InChIKeyKMCBBWUDYHOJMW-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
5-Phenylsulfanylpentan-1-ol
CID 346015
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
1-(Phenylsulfanyl)-2-octanol
CID 11276474
2-Methyl-3-phenylthiopropanol
CID 12573588

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol?
The IUPAC name of 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol (CID 11118630) is 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol.
What is the SMILES notation for 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol?
The canonical SMILES for 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol is CC(CC(O)[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol?
The InChIKey is KMCBBWUDYHOJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSSi/c1-11(10-13(14)16(2,3)4)15-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3.
What are the key properties of 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol?
3-phenylsulfanyl-1-trimethylsilylbutan-1-ol has a molecular weight of 254.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-1-trimethylsilylbutan-1-ol is sourced from PubChem (CID 11118630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).