3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane

C18H31BrSSi — CID 46868830

IUPAC3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](SCCCc1ccc(Br)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H31BrSSi/c1-14(2)21(15(3)4,16(5)6)20-13-7-8-17-9-11-18(19)12-10-17/h9-12,14-16H,7-8,13H2,1-6H3
InChIKeyNTHVCVHIZMLZHD-UHFFFAOYSA-N
MW387.50 g/mol
LogP7.29
Rot. Bonds8

About 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane

3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane (PubChem CID 46868830) has the molecular formula C18H31BrSSi and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane
PubChem CID46868830
Molecular FormulaC18H31BrSSi
Molecular Weight387.50 g/mol
Exact Mass386.11
IUPAC Name3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](SCCCc1ccc(Br)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H31BrSSi/c1-14(2)21(15(3)4,16(5)6)20-13-7-8-17-9-11-18(19)12-10-17/h9-12,14-16H,7-8,13H2,1-6H3
InChIKeyNTHVCVHIZMLZHD-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[4-[4-[3-tri(propan-2-yl)silylsulfanylpropyl]phenyl]phenyl]phenyl]carbamate
CID 46866944
1-bromo-4-[12-[12-(4-bromophenyl)dodecylsulfanyl]dodecyl]benzene
CID 141294018
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
2-(4-bromophenyl)ethyl-fluoro-dimethylsilane
CID 23650279
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
1-bromo-4-(3-phenylpropylsulfanyl)benzene
CID 68820454
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane?
The IUPAC name of 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane (CID 46868830) is 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane is CC(C)[Si](SCCCc1ccc(Br)cc1)(C(C)C)C(C)C.
What is the InChIKey of 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane?
The InChIKey is NTHVCVHIZMLZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrSSi/c1-14(2)21(15(3)4,16(5)6)20-13-7-8-17-9-11-18(19)12-10-17/h9-12,14-16H,7-8,13H2,1-6H3.
What are the key properties of 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane?
3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane has a molecular weight of 387.50 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)propylsulfanyl-tri(propan-2-yl)silane is sourced from PubChem (CID 46868830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).