dimethyl-[2-(thiiran-2-yl)ethyl]borane

C6H13BS — CID 20653692

IUPACdimethyl-[2-(thiiran-2-yl)ethyl]borane
SMILESCB(C)CCC1CS1
InChIInChI=1S/C6H13BS/c1-7(2)4-3-6-5-8-6/h6H,3-5H2,1-2H3
InChIKeyGJFMODVJZHDMTR-UHFFFAOYSA-N
MW128.05 g/mol
LogP2.25
Rot. Bonds3

About dimethyl-[2-(thiiran-2-yl)ethyl]borane

dimethyl-[2-(thiiran-2-yl)ethyl]borane (PubChem CID 20653692) has the molecular formula C6H13BS and a molecular weight of 128.05 g/mol. Its IUPAC name is dimethyl-[2-(thiiran-2-yl)ethyl]borane.

Molecular Properties

Compound Namedimethyl-[2-(thiiran-2-yl)ethyl]borane
PubChem CID20653692
Molecular FormulaC6H13BS
Molecular Weight128.05 g/mol
Exact Mass128.08
IUPAC Namedimethyl-[2-(thiiran-2-yl)ethyl]borane
SMILESCB(C)CCC1CS1
InChIInChI=1S/C6H13BS/c1-7(2)4-3-6-5-8-6/h6H,3-5H2,1-2H3
InChIKeyGJFMODVJZHDMTR-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.05
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[2-(thiiran-2-yl)ethyl]thiirane
CID 87692171
2-[2,2-bis(thiiran-2-ylmethyl)butyl]thiirane
CID 87707092
methyl 3-[(2R)-thiiran-2-yl]propanoate
CID 101021793
2-[4-methyl-10-(thiiran-2-yl)-4-[3-(thiiran-2-yl)propyl]decyl]thiirane
CID 22899112
2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane
CID 22899111
2-(methoxymethyl)thiirane
CID 29837
2-(thiiran-2-yl)ethane-1,1-diselenol
CID 174438951
(2S)-2-(chloromethyl)thiirane
CID 7157115
2-[3-[(E)-prop-1-enoxy]propyl]thiirane
CID 176604691
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
4-pentyl-1,3-dithiolane
CID 174302072
2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
CID 87707235

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(thiiran-2-yl)ethyl]borane?
The IUPAC name of dimethyl-[2-(thiiran-2-yl)ethyl]borane (CID 20653692) is dimethyl-[2-(thiiran-2-yl)ethyl]borane.
What is the SMILES notation for dimethyl-[2-(thiiran-2-yl)ethyl]borane?
The canonical SMILES for dimethyl-[2-(thiiran-2-yl)ethyl]borane is CB(C)CCC1CS1.
What is the InChIKey of dimethyl-[2-(thiiran-2-yl)ethyl]borane?
The InChIKey is GJFMODVJZHDMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BS/c1-7(2)4-3-6-5-8-6/h6H,3-5H2,1-2H3.
What are the key properties of dimethyl-[2-(thiiran-2-yl)ethyl]borane?
dimethyl-[2-(thiiran-2-yl)ethyl]borane has a molecular weight of 128.05 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(thiiran-2-yl)ethyl]borane is sourced from PubChem (CID 20653692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).