trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane

C13H13Br3O3SSi — CID 59243912

IUPACtrimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2sc(Br)c(Br)c2Br)cc1
InChIInChI=1S/C13H13Br3O3SSi/c1-17-21(18-2,19-3)9-6-4-8(5-7-9)12-10(14)11(15)13(16)20-12/h4-7H,1-3H3
InChIKeyTUZVWUGEJFLDPC-UHFFFAOYSA-N
MW517.11 g/mol
LogP4.79
Rot. Bonds5

About trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane

trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane (PubChem CID 59243912) has the molecular formula C13H13Br3O3SSi and a molecular weight of 517.11 g/mol. Its IUPAC name is trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane
PubChem CID59243912
Molecular FormulaC13H13Br3O3SSi
Molecular Weight517.11 g/mol
Exact Mass513.79
IUPAC Nametrimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2sc(Br)c(Br)c2Br)cc1
InChIInChI=1S/C13H13Br3O3SSi/c1-17-21(18-2,19-3)9-6-4-8(5-7-9)12-10(14)11(15)13(16)20-12/h4-7H,1-3H3
InChIKeyTUZVWUGEJFLDPC-UHFFFAOYSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.11
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-bromophenyl)phenyl]-trimethoxysilane
CID 59244074
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
trichloro-(4-trimethoxysilylphenyl)silane
CID 59207169
3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine
CID 102442181
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
N,N-dimethyl-4-trimethoxysilylaniline
CID 54120429
trimethoxy-(4-prop-2-enylphenyl)silane
CID 66685892
(4-bromophenyl)-methoxy-di(propan-2-yloxy)silane
CID 23496497
(10-bromoanthracen-9-yl)-trimethoxysilane
CID 59243801
trimethoxy-(4-nitrosophenyl)silane
CID 57104054
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane
CID 71121606

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane?
The IUPAC name of trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane (CID 59243912) is trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane.
What is the SMILES notation for trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane?
The canonical SMILES for trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane is CO[Si](OC)(OC)c1ccc(-c2sc(Br)c(Br)c2Br)cc1.
What is the InChIKey of trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane?
The InChIKey is TUZVWUGEJFLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br3O3SSi/c1-17-21(18-2,19-3)9-6-4-8(5-7-9)12-10(14)11(15)13(16)20-12/h4-7H,1-3H3.
What are the key properties of trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane?
trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane has a molecular weight of 517.11 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-(3,4,5-tribromothiophen-2-yl)phenyl]silane is sourced from PubChem (CID 59243912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).