bis[(4-methylphenyl)sulfanyl]methylsilane

C15H18S2Si — CID 175428448

IUPACbis[(4-methylphenyl)sulfanyl]methylsilane
SMILESCc1ccc(SC([SiH3])Sc2ccc(C)cc2)cc1
InChIInChI=1S/C15H18S2Si/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10,15H,1-2,18H3
InChIKeyQOAHIAJVSSVHOC-UHFFFAOYSA-N
MW290.53 g/mol
LogP3.84
Rot. Bonds4

About bis[(4-methylphenyl)sulfanyl]methylsilane

bis[(4-methylphenyl)sulfanyl]methylsilane (PubChem CID 175428448) has the molecular formula C15H18S2Si and a molecular weight of 290.53 g/mol. Its IUPAC name is bis[(4-methylphenyl)sulfanyl]methylsilane.

Molecular Properties

Compound Namebis[(4-methylphenyl)sulfanyl]methylsilane
PubChem CID175428448
Molecular FormulaC15H18S2Si
Molecular Weight290.53 g/mol
Exact Mass290.06
IUPAC Namebis[(4-methylphenyl)sulfanyl]methylsilane
SMILESCc1ccc(SC([SiH3])Sc2ccc(C)cc2)cc1
InChIInChI=1S/C15H18S2Si/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10,15H,1-2,18H3
InChIKeyQOAHIAJVSSVHOC-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene
CID 10024575
3-(4-methylphenyl)sulfanylbutan-2-ol
CID 14194463
(2S)-2-(4-methylphenyl)sulfanylpropanal
CID 10352285
2-(4-methylphenyl)sulfanylpropanal
CID 10081010
2,2-difluoro-1-(4-methylphenyl)sulfanylethanol
CID 175591763
1-(4-methylphenyl)sulfanylethane-1,2-diol
CID 71411750
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
CID 64620449
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
1-methyl-4-octan-2-ylsulfanylbenzene
CID 14067707
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-methylphenyl)aniline
CID 18996742

Frequently Asked Questions

What is the IUPAC name of bis[(4-methylphenyl)sulfanyl]methylsilane?
The IUPAC name of bis[(4-methylphenyl)sulfanyl]methylsilane (CID 175428448) is bis[(4-methylphenyl)sulfanyl]methylsilane.
What is the SMILES notation for bis[(4-methylphenyl)sulfanyl]methylsilane?
The canonical SMILES for bis[(4-methylphenyl)sulfanyl]methylsilane is Cc1ccc(SC([SiH3])Sc2ccc(C)cc2)cc1.
What is the InChIKey of bis[(4-methylphenyl)sulfanyl]methylsilane?
The InChIKey is QOAHIAJVSSVHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S2Si/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10,15H,1-2,18H3.
What are the key properties of bis[(4-methylphenyl)sulfanyl]methylsilane?
bis[(4-methylphenyl)sulfanyl]methylsilane has a molecular weight of 290.53 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-methylphenyl)sulfanyl]methylsilane is sourced from PubChem (CID 175428448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).