3-[dichloro(phenyl)silyl]propane-1-thiol

C9H12Cl2SSi — CID 139647471

IUPAC3-[dichloro(phenyl)silyl]propane-1-thiol
SMILESSCCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C9H12Cl2SSi/c10-13(11,8-4-7-12)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2
InChIKeyRFIQFGBKRKLVLC-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.13
Rot. Bonds4

About 3-[dichloro(phenyl)silyl]propane-1-thiol

3-[dichloro(phenyl)silyl]propane-1-thiol (PubChem CID 139647471) has the molecular formula C9H12Cl2SSi and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-[dichloro(phenyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[dichloro(phenyl)silyl]propane-1-thiol
PubChem CID139647471
Molecular FormulaC9H12Cl2SSi
Molecular Weight251.25 g/mol
Exact Mass249.98
IUPAC Name3-[dichloro(phenyl)silyl]propane-1-thiol
SMILESSCCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C9H12Cl2SSi/c10-13(11,8-4-7-12)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2
InChIKeyRFIQFGBKRKLVLC-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

dichloro-heptyl-phenylsilane
CID 101161411
dichloro-(2-chloroethyl)-phenylsilane
CID 21404932
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
bromomethyl-dichloro-phenylsilane
CID 68903760
2-[dichloro(phenyl)silyl]ethyl-diphenylphosphane
CID 13086808
dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane
CID 67913450
dichloro-[2-(dichloromethylsilyl)ethyl]-phenylsilane
CID 123466638
dichloro(diphenyl)silane
CID 6627
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
chloro-phenyl-dipropylsilane
CID 57124380
dichloro-phenyl-(3,3,4,4-tetrafluorobutyl)silane
CID 154335354
3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol
CID 23341375

Frequently Asked Questions

What is the IUPAC name of 3-[dichloro(phenyl)silyl]propane-1-thiol?
The IUPAC name of 3-[dichloro(phenyl)silyl]propane-1-thiol (CID 139647471) is 3-[dichloro(phenyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[dichloro(phenyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[dichloro(phenyl)silyl]propane-1-thiol is SCCC[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of 3-[dichloro(phenyl)silyl]propane-1-thiol?
The InChIKey is RFIQFGBKRKLVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2SSi/c10-13(11,8-4-7-12)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2.
What are the key properties of 3-[dichloro(phenyl)silyl]propane-1-thiol?
3-[dichloro(phenyl)silyl]propane-1-thiol has a molecular weight of 251.25 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dichloro(phenyl)silyl]propane-1-thiol is sourced from PubChem (CID 139647471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).