trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane

C17H17NO2S2Si — CID 10893729

IUPACtrimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane
SMILESC[Si](C)(C)c1sc2ccccc2c1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17NO2S2Si/c1-23(2,3)17-16(14-6-4-5-7-15(14)22-17)21-13-10-8-12(9-11-13)18(19)20/h4-11H,1-3H3
InChIKeyDROJEAQAZKZKGU-UHFFFAOYSA-N
MW359.55 g/mol
LogP5.51
Rot. Bonds4

About trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane

trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane (PubChem CID 10893729) has the molecular formula C17H17NO2S2Si and a molecular weight of 359.55 g/mol. Its IUPAC name is trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane
PubChem CID10893729
Molecular FormulaC17H17NO2S2Si
Molecular Weight359.55 g/mol
Exact Mass359.05
IUPAC Nametrimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane
SMILESC[Si](C)(C)c1sc2ccccc2c1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17NO2S2Si/c1-23(2,3)17-16(14-6-4-5-7-15(14)22-17)21-13-10-8-12(9-11-13)18(19)20/h4-11H,1-3H3
InChIKeyDROJEAQAZKZKGU-UHFFFAOYSA-N
XLogP5.51
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
1,2,3,4,5-pentafluoro-6-(4-nitrophenyl)sulfanylbenzene
CID 4829641
4-hydroxy-1-methyl-3-(4-nitrophenyl)sulfanylquinolin-2-one
CID 54712454
3-(4-nitrophenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 4667584
4,6-dimethoxy-5-(4-nitrophenyl)sulfanylpyrimidin-2-amine
CID 4963058
4-methyl-5-(4-nitrophenyl)sulfanyl-3H-1,3-thiazol-2-one
CID 134908218
2-nitrothioxanthen-9-one
CID 12754955
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
1-nitrodibenzothiophen-2-amine
CID 121008332
(1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine
CID 55184275
1-tert-butyl-2-(4-nitrophenyl)sulfanylbenzene
CID 125465489

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane?
The IUPAC name of trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane (CID 10893729) is trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane.
What is the SMILES notation for trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane?
The canonical SMILES for trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane is C[Si](C)(C)c1sc2ccccc2c1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane?
The InChIKey is DROJEAQAZKZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S2Si/c1-23(2,3)17-16(14-6-4-5-7-15(14)22-17)21-13-10-8-12(9-11-13)18(19)20/h4-11H,1-3H3.
What are the key properties of trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane?
trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane has a molecular weight of 359.55 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]silane is sourced from PubChem (CID 10893729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).