4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole

C9H19BSSi — CID 593224

IUPAC4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole
SMILESCCB1S[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C9H19BSSi/c1-6-9-8(3)12(4,5)11-10(9)7-2/h6-7H2,1-5H3
InChIKeyQFZLQLYFAVSHMX-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.75
Rot. Bonds2

About 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole

4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole (PubChem CID 593224) has the molecular formula C9H19BSSi and a molecular weight of 198.22 g/mol. Its IUPAC name is 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole.

Molecular Properties

Compound Name4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole
PubChem CID593224
Molecular FormulaC9H19BSSi
Molecular Weight198.22 g/mol
Exact Mass198.11
IUPAC Name4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole
SMILESCCB1S[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C9H19BSSi/c1-6-9-8(3)12(4,5)11-10(9)7-2/h6-7H2,1-5H3
InChIKeyQFZLQLYFAVSHMX-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.75
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

2-Pentene, 3-diethylboryl-2-trimethylsilyl-
CID 5366484
3-Hexene, 3-diethylboryl-4-trimethylsilyl-
CID 5366485
[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane
CID 14436714
1-Selena-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 608947
2-Pentene, 2-ethyldimethylsilyl-3-diethylboryl-
CID 5368101
2-Pentene, 3-diethylboryl-2-dimethylsilyl-
CID 6329169
[(Z)-4-diethylboranylhex-3-en-3-yl]-trimethylsilane
CID 14436718
[(Z)-3-diethylboranylpent-2-en-2-yl]-trimethylsilane
CID 12871273
CID 136810533
CID 136810533

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole?
The IUPAC name of 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole (CID 593224) is 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole.
What is the SMILES notation for 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole?
The canonical SMILES for 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole is CCB1S[Si](C)(C)C(C)=C1CC.
What is the InChIKey of 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole?
The InChIKey is QFZLQLYFAVSHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BSSi/c1-6-9-8(3)12(4,5)11-10(9)7-2/h6-7H2,1-5H3.
What are the key properties of 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole?
4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole has a molecular weight of 198.22 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2,2,3-trimethyl-1,2,5-thiasilaborole is sourced from PubChem (CID 593224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).