trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide

C3H5BF3N4S- — CID 63702874

IUPACtrifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
SMILESCn1nnnc1SC[B-](F)(F)F
InChIInChI=1S/C3H5BF3N4S/c1-11-3(8-9-10-11)12-2-4(5,6)7/h2H2,1H3/q-1
InChIKeyACQFEKCPLPVPJD-UHFFFAOYSA-N
MW196.97 g/mol
LogP0.69
Rot. Bonds3

About trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide

trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide (PubChem CID 63702874) has the molecular formula C3H5BF3N4S- and a molecular weight of 196.97 g/mol. Its IUPAC name is trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
PubChem CID63702874
Molecular FormulaC3H5BF3N4S-
Molecular Weight196.97 g/mol
Exact Mass197.03
IUPAC Nametrifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
SMILESCn1nnnc1SC[B-](F)(F)F
InChIInChI=1S/C3H5BF3N4S/c1-11-3(8-9-10-11)12-2-4(5,6)7/h2H2,1H3/q-1
InChIKeyACQFEKCPLPVPJD-UHFFFAOYSA-N
XLogP0.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.97
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole
CID 54427991
1-methyl-5-[(1-methyltetrazol-5-yl)tetrasulfanyl]tetrazole
CID 54538626
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol
CID 115914650
5-(4-chlorobut-2-enylsulfanyl)-1-methyltetrazole
CID 77051451
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 130620136
3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64620404
1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione
CID 15561103
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide?
The IUPAC name of trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide (CID 63702874) is trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide.
What is the SMILES notation for trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide?
The canonical SMILES for trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide is Cn1nnnc1SC[B-](F)(F)F.
What is the InChIKey of trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide?
The InChIKey is ACQFEKCPLPVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BF3N4S/c1-11-3(8-9-10-11)12-2-4(5,6)7/h2H2,1H3/q-1.
What are the key properties of trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide?
trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide has a molecular weight of 196.97 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide is sourced from PubChem (CID 63702874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).