methyl-(4-methylsulfanylphenyl)silane

C8H12SSi — CID 174083888

IUPACmethyl-(4-methylsulfanylphenyl)silane
SMILESC[SiH2]c1ccc(SC)cc1
InChIInChI=1S/C8H12SSi/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,10H2,1-2H3
InChIKeyVYQQIRRGUSVBAV-UHFFFAOYSA-N
MW168.34 g/mol
LogP1.25
Rot. Bonds2

About methyl-(4-methylsulfanylphenyl)silane

methyl-(4-methylsulfanylphenyl)silane (PubChem CID 174083888) has the molecular formula C8H12SSi and a molecular weight of 168.34 g/mol. Its IUPAC name is methyl-(4-methylsulfanylphenyl)silane.

Molecular Properties

Compound Namemethyl-(4-methylsulfanylphenyl)silane
PubChem CID174083888
Molecular FormulaC8H12SSi
Molecular Weight168.34 g/mol
Exact Mass168.04
IUPAC Namemethyl-(4-methylsulfanylphenyl)silane
SMILESC[SiH2]c1ccc(SC)cc1
InChIInChI=1S/C8H12SSi/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,10H2,1-2H3
InChIKeyVYQQIRRGUSVBAV-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Thioanisole
CID 7520
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
Phenylthiotrimethylsilane
CID 78312
S-Allylthiobenzene
CID 79180
Benzene, (butylthio)-
CID 136905
Prenylphenyl sulfide
CID 329234
Silane, trimethyl((phenylthio)methyl)-
CID 140295
Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
Dimethyl(phenyl)sulfonium
CID 425720
(E)-Phenyl-1-propenylsulfide
CID 5373102

Frequently Asked Questions

What is the IUPAC name of methyl-(4-methylsulfanylphenyl)silane?
The IUPAC name of methyl-(4-methylsulfanylphenyl)silane (CID 174083888) is methyl-(4-methylsulfanylphenyl)silane.
What is the SMILES notation for methyl-(4-methylsulfanylphenyl)silane?
The canonical SMILES for methyl-(4-methylsulfanylphenyl)silane is C[SiH2]c1ccc(SC)cc1.
What is the InChIKey of methyl-(4-methylsulfanylphenyl)silane?
The InChIKey is VYQQIRRGUSVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12SSi/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,10H2,1-2H3.
What are the key properties of methyl-(4-methylsulfanylphenyl)silane?
methyl-(4-methylsulfanylphenyl)silane has a molecular weight of 168.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methylsulfanylphenyl)silane is sourced from PubChem (CID 174083888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).