butylsulfanylmethyl(trifluoro)boranuide

C5H11BF3S- — CID 63701834

IUPACbutylsulfanylmethyl(trifluoro)boranuide
SMILESCCCCSC[B-](F)(F)F
InChIInChI=1S/C5H11BF3S/c1-2-3-4-10-5-6(7,8)9/h2-5H2,1H3/q-1
InChIKeyVUSVJLCSYJHJOO-UHFFFAOYSA-N
MW171.02 g/mol
LogP2.91
Rot. Bonds5

About butylsulfanylmethyl(trifluoro)boranuide

butylsulfanylmethyl(trifluoro)boranuide (PubChem CID 63701834) has the molecular formula C5H11BF3S- and a molecular weight of 171.02 g/mol. Its IUPAC name is butylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namebutylsulfanylmethyl(trifluoro)boranuide
PubChem CID63701834
Molecular FormulaC5H11BF3S-
Molecular Weight171.02 g/mol
Exact Mass171.06
IUPAC Namebutylsulfanylmethyl(trifluoro)boranuide
SMILESCCCCSC[B-](F)(F)F
InChIInChI=1S/C5H11BF3S/c1-2-3-4-10-5-6(7,8)9/h2-5H2,1H3/q-1
InChIKeyVUSVJLCSYJHJOO-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.02
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of butylsulfanylmethyl(trifluoro)boranuide (CID 63701834) is butylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for butylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for butylsulfanylmethyl(trifluoro)boranuide is CCCCSC[B-](F)(F)F.
What is the InChIKey of butylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is VUSVJLCSYJHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3S/c1-2-3-4-10-5-6(7,8)9/h2-5H2,1H3/q-1.
What are the key properties of butylsulfanylmethyl(trifluoro)boranuide?
butylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 171.02 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 63701834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).