[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane

C16H19BrSSi — CID 103438773

IUPAC[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CSc2cccc(Br)c2)cc1
InChIInChI=1S/C16H19BrSSi/c1-19(2,3)16-9-7-13(8-10-16)12-18-15-6-4-5-14(17)11-15/h4-11H,12H2,1-3H3
InChIKeyIQOHQZLJAVNRMF-UHFFFAOYSA-N
MW351.39 g/mol
LogP5.29
Rot. Bonds4

About [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane

[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane (PubChem CID 103438773) has the molecular formula C16H19BrSSi and a molecular weight of 351.39 g/mol. Its IUPAC name is [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane
PubChem CID103438773
Molecular FormulaC16H19BrSSi
Molecular Weight351.39 g/mol
Exact Mass350.02
IUPAC Name[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CSc2cccc(Br)c2)cc1
InChIInChI=1S/C16H19BrSSi/c1-19(2,3)16-9-7-13(8-10-16)12-18-15-6-4-5-14(17)11-15/h4-11H,12H2,1-3H3
InChIKeyIQOHQZLJAVNRMF-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.39
LogP ≤ 55.29
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

4-[(3-bromophenyl)sulfanylmethyl]aniline
CID 62805320
3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
2-bromo-4-[(3-bromophenyl)sulfanylmethyl]-1-methoxybenzene
CID 63458320
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 62804634
5-bromo-2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloropyrimidine
CID 66316000
[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438769
2,3-bis[(3-bromophenyl)sulfanylmethyl]benzo[g]quinoxaline
CID 10121028
N-[1-[3-[(4-bromophenyl)methylsulfanyl]phenyl]ethyl]propan-1-amine
CID 64666128
N-[[3-[(3-bromophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 66349679
[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
CID 66159246
2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloro-5-fluoropyrimidine
CID 80550465

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane (CID 103438773) is [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(CSc2cccc(Br)c2)cc1.
What is the InChIKey of [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane?
The InChIKey is IQOHQZLJAVNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrSSi/c1-19(2,3)16-9-7-13(8-10-16)12-18-15-6-4-5-14(17)11-15/h4-11H,12H2,1-3H3.
What are the key properties of [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane?
[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane has a molecular weight of 351.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane is sourced from PubChem (CID 103438773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).