1,2-Bis(tert-butylthio)ethane Borane

C10H22BS2 — CID 23106025

IUPAC—
SMILESCC(C)(C)SCCSC(C)(C)C.[B]
InChIInChI=1S/C10H22S2.B/c1-9(2,3)11-7-8-12-10(4,5)6;/h7-8H2,1-6H3;
InChIKeyWFZRJGJUISJCJJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.67
Rot. Bonds3

About 1,2-Bis(tert-butylthio)ethane Borane

1,2-Bis(tert-butylthio)ethane Borane (PubChem CID 23106025) has the molecular formula C10H22BS2 and a molecular weight of 217.23 g/mol.

Molecular Properties

Compound Name1,2-Bis(tert-butylthio)ethane Borane
PubChem CID23106025
Molecular FormulaC10H22BS2
Molecular Weight217.23 g/mol
Exact Mass217.13
IUPAC Name—
SMILESCC(C)(C)SCCSC(C)(C)C.[B]
InChIInChI=1S/C10H22S2.B/c1-9(2,3)11-7-8-12-10(4,5)6;/h7-8H2,1-6H3;
InChIKeyWFZRJGJUISJCJJ-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
CID 2733083
2-(2-bromoethylsulfanyl)-2-methylpropane
CID 43445846
1-tert-butylsulfanylhexane
CID 12957071
tris(2-tert-butylsulfanylethyl) borate
CID 10960580
3-tert-butylsulfanylpropanamide
CID 21060365
1-tert-butylsulfanylbutane;triiodovanadium
CID 157432361
2-(2-azidoethylsulfanyl)-2-methylpropane
CID 61397099
(Z)-1-tert-butylsulfanyl-5,5-dimethylhex-3-ene
CID 58798569
2-(2-tert-butylsulfanylethoxy)ethanamine
CID 103482631
4-tert-butylsulfanyl-N-methylbutan-2-amine
CID 64614270
2-(2-tert-butylsulfanylethoxy)ethanol
CID 10932017
2-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropane
CID 134353103

Frequently Asked Questions

What is the IUPAC name of 1,2-Bis(tert-butylthio)ethane Borane?
The IUPAC name of 1,2-Bis(tert-butylthio)ethane Borane (CID 23106025) is not available.
What is the SMILES notation for 1,2-Bis(tert-butylthio)ethane Borane?
The canonical SMILES for 1,2-Bis(tert-butylthio)ethane Borane is CC(C)(C)SCCSC(C)(C)C.[B].
What is the InChIKey of 1,2-Bis(tert-butylthio)ethane Borane?
The InChIKey is WFZRJGJUISJCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2.B/c1-9(2,3)11-7-8-12-10(4,5)6;/h7-8H2,1-6H3;.
What are the key properties of 1,2-Bis(tert-butylthio)ethane Borane?
1,2-Bis(tert-butylthio)ethane Borane has a molecular weight of 217.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Bis(tert-butylthio)ethane Borane is sourced from PubChem (CID 23106025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).