2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H21BO2S2 — CID 102333969

IUPAC2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCS/C=C(/B1OC(C)(C)C(C)(C)O1)c1cccs1
InChIInChI=1S/C14H21BO2S2/c1-6-18-10-11(12-8-7-9-19-12)15-16-13(2,3)14(4,5)17-15/h7-10H,6H2,1-5H3/b11-10+
InChIKeyYAPGNMMNIYUTHH-ZHACJKMWSA-N
MW296.27 g/mol
LogP4.47
Rot. Bonds4

About 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102333969) has the molecular formula C14H21BO2S2 and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102333969
Molecular FormulaC14H21BO2S2
Molecular Weight296.27 g/mol
Exact Mass296.11
IUPAC Name2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCS/C=C(/B1OC(C)(C)C(C)(C)O1)c1cccs1
InChIInChI=1S/C14H21BO2S2/c1-6-18-10-11(12-8-7-9-19-12)15-16-13(2,3)14(4,5)17-15/h7-10H,6H2,1-5H3/b11-10+
InChIKeyYAPGNMMNIYUTHH-ZHACJKMWSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.47
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

2-[(Z)-1,2-dithiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102231872
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-thiophen-2-ylpropan-1-one
CID 132558418
2-[(Z)-1-chlorobut-1-enyl]thiophene
CID 102087090
2-(1-ethylsulfanylethenyl)thiophene
CID 142318673
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
(2S,5S)-2,3,4,5-tetraethyl-2-methyl-5-(thiophene-2-carbonyl)cyclopent-3-en-1-one
CID 59052704
1-ethyl-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-3-thiophen-2-ylpyrazole
CID 171111696
5-ethyl-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-3-thiophen-2-yl-1H-pyrazole
CID 171111582
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
1-thiophen-2-ylpropan-1-one
CID 26179
2-(2-benzyl-1-fluoro-3-phenylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111964
1-[3-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-5-methyl-3-thiophen-2-ylpyrazole
CID 171111544

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102333969) is 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCS/C=C(/B1OC(C)(C)C(C)(C)O1)c1cccs1.
What is the InChIKey of 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YAPGNMMNIYUTHH-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H21BO2S2/c1-6-18-10-11(12-8-7-9-19-12)15-16-13(2,3)14(4,5)17-15/h7-10H,6H2,1-5H3/b11-10+.
What are the key properties of 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-ethylsulfanyl-1-thiophen-2-ylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102333969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).