1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine

C4H6F3N5S — CID 106433139

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine
SMILESNc1nnnn1CCSC(F)(F)F
InChIInChI=1S/C4H6F3N5S/c5-4(6,7)13-2-1-12-3(8)9-10-11-12/h1-2H2,(H2,8,9,11)
InChIKeyLVTUQCGDBJWIPS-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.51
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine

1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine (PubChem CID 106433139) has the molecular formula C4H6F3N5S and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine
PubChem CID106433139
Molecular FormulaC4H6F3N5S
Molecular Weight213.19 g/mol
Exact Mass213.03
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine
SMILESNc1nnnn1CCSC(F)(F)F
InChIInChI=1S/C4H6F3N5S/c5-4(6,7)13-2-1-12-3(8)9-10-11-12/h1-2H2,(H2,8,9,11)
InChIKeyLVTUQCGDBJWIPS-UHFFFAOYSA-N
XLogP0.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine (CID 106433139) is 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine is Nc1nnnn1CCSC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine?
The InChIKey is LVTUQCGDBJWIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N5S/c5-4(6,7)13-2-1-12-3(8)9-10-11-12/h1-2H2,(H2,8,9,11).
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine?
1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine has a molecular weight of 213.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 106433139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).