trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide

C5H7BF3N2S- — CID 63702614

IUPACtrifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide
SMILESCn1ccnc1SC[B-](F)(F)F
InChIInChI=1S/C5H7BF3N2S/c1-11-3-2-10-5(11)12-4-6(7,8)9/h2-3H,4H2,1H3/q-1
InChIKeyCIHBOFFHDQHGHM-UHFFFAOYSA-N
MW195.00 g/mol
LogP1.90
Rot. Bonds3

About trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide

trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide (PubChem CID 63702614) has the molecular formula C5H7BF3N2S- and a molecular weight of 195.00 g/mol. Its IUPAC name is trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide
PubChem CID63702614
Molecular FormulaC5H7BF3N2S-
Molecular Weight195.00 g/mol
Exact Mass195.04
IUPAC Nametrifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide
SMILESCn1ccnc1SC[B-](F)(F)F
InChIInChI=1S/C5H7BF3N2S/c1-11-3-2-10-5(11)12-4-6(7,8)9/h2-3H,4H2,1H3/q-1
InChIKeyCIHBOFFHDQHGHM-UHFFFAOYSA-N
XLogP1.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[4-(1-methylimidazol-2-yl)sulfanylbut-2-ynylsulfanyl]imidazole
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2-tert-butylsulfanyl-1-methylimidazole
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1-methyl-2-pent-3-ynylsulfanylimidazole
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1-methyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47124411
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
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2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
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2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
2-[bromo(difluoro)methyl]sulfanyl-1-methylimidazole
CID 12670653
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide?
The IUPAC name of trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide (CID 63702614) is trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide.
What is the SMILES notation for trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide?
The canonical SMILES for trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide is Cn1ccnc1SC[B-](F)(F)F.
What is the InChIKey of trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide?
The InChIKey is CIHBOFFHDQHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BF3N2S/c1-11-3-2-10-5(11)12-4-6(7,8)9/h2-3H,4H2,1H3/q-1.
What are the key properties of trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide?
trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide has a molecular weight of 195.00 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide is sourced from PubChem (CID 63702614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).