ethylsulfanylmethyl(trifluoro)boranuide

C3H7BF3S- — CID 63704453

IUPACethylsulfanylmethyl(trifluoro)boranuide
SMILESCCSC[B-](F)(F)F
InChIInChI=1S/C3H7BF3S/c1-2-8-3-4(5,6)7/h2-3H2,1H3/q-1
InChIKeyZLYAQOVJYYBZDD-UHFFFAOYSA-N
MW142.96 g/mol
LogP2.13
Rot. Bonds3

About ethylsulfanylmethyl(trifluoro)boranuide

ethylsulfanylmethyl(trifluoro)boranuide (PubChem CID 63704453) has the molecular formula C3H7BF3S- and a molecular weight of 142.96 g/mol. Its IUPAC name is ethylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Nameethylsulfanylmethyl(trifluoro)boranuide
PubChem CID63704453
Molecular FormulaC3H7BF3S-
Molecular Weight142.96 g/mol
Exact Mass143.03
IUPAC Nameethylsulfanylmethyl(trifluoro)boranuide
SMILESCCSC[B-](F)(F)F
InChIInChI=1S/C3H7BF3S/c1-2-8-3-4(5,6)7/h2-3H2,1H3/q-1
InChIKeyZLYAQOVJYYBZDD-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.96
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of ethylsulfanylmethyl(trifluoro)boranuide (CID 63704453) is ethylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for ethylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for ethylsulfanylmethyl(trifluoro)boranuide is CCSC[B-](F)(F)F.
What is the InChIKey of ethylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is ZLYAQOVJYYBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BF3S/c1-2-8-3-4(5,6)7/h2-3H2,1H3/q-1.
What are the key properties of ethylsulfanylmethyl(trifluoro)boranuide?
ethylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 142.96 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 63704453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).