1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide

C4H10BF3NS- — CID 66243911

IUPAC1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide
SMILESCC(CN)SC[B-](F)(F)F
InChIInChI=1S/C4H10BF3NS/c1-4(2-9)10-3-5(6,7)8/h4H,2-3,9H2,1H3/q-1
InChIKeyFHKASXIQBVQYPC-UHFFFAOYSA-N
MW172.00 g/mol
LogP1.45
Rot. Bonds4

About 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide

1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide (PubChem CID 66243911) has the molecular formula C4H10BF3NS- and a molecular weight of 172.00 g/mol. Its IUPAC name is 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Name1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide
PubChem CID66243911
Molecular FormulaC4H10BF3NS-
Molecular Weight172.00 g/mol
Exact Mass172.06
IUPAC Name1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide
SMILESCC(CN)SC[B-](F)(F)F
InChIInChI=1S/C4H10BF3NS/c1-4(2-9)10-3-5(6,7)8/h4H,2-3,9H2,1H3/q-1
InChIKeyFHKASXIQBVQYPC-UHFFFAOYSA-N
XLogP1.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.00
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-amino-3-methylsulfanylpropyl]-trifluoroboranuide
CID 176643529
2-Aminoethylsulfanylmethyl(trifluoro)boranuide
CID 63704457
3-Aminopropylsulfanylmethyl(trifluoro)boranuide
CID 66219982
2-Aminopropylsulfanylmethyl(trifluoro)boranuide
CID 66220405
4-Aminobutan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 66225570
(3-Amino-2-methylpropyl)sulfanylmethyl-trifluoroboranuide
CID 66227431
2-Aminobutylsulfanylmethyl(trifluoro)boranuide
CID 66229815
3-Aminobutylsulfanylmethyl(trifluoro)boranuide
CID 66233711
Trifluoro-[(3-methylsulfanylpropylamino)methyl]boranuide
CID 133634440
(1-Amino-3-methylsulfanylpropyl)-trifluoroboranuide
CID 160229480
CID 173790956
CID 173790956
Potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide
CID 63704456

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide (CID 66243911) is 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide is CC(CN)SC[B-](F)(F)F.
What is the InChIKey of 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is FHKASXIQBVQYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BF3NS/c1-4(2-9)10-3-5(6,7)8/h4H,2-3,9H2,1H3/q-1.
What are the key properties of 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide?
1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 172.00 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 66243911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).