ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite

C11H20FN3OS — CID 145282487

IUPACethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite
SMILESCC.CC(=O)CCCn1cc(CCSF)nn1
InChIInChI=1S/C9H14FN3OS.C2H6/c1-8(14)3-2-5-13-7-9(11-12-13)4-6-15-10;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyYYSAJWMZMSKLJC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds7

About ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite

ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite (PubChem CID 145282487) has the molecular formula C11H20FN3OS and a molecular weight of 261.37 g/mol. Its IUPAC name is ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite.

Molecular Properties

Compound Nameethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite
PubChem CID145282487
Molecular FormulaC11H20FN3OS
Molecular Weight261.37 g/mol
Exact Mass261.13
IUPAC Nameethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite
SMILESCC.CC(=O)CCCn1cc(CCSF)nn1
InChIInChI=1S/C9H14FN3OS.C2H6/c1-8(14)3-2-5-13-7-9(11-12-13)4-6-15-10;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyYYSAJWMZMSKLJC-UHFFFAOYSA-N
XLogP2.83
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite?
The IUPAC name of ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite (CID 145282487) is ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite.
What is the SMILES notation for ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite?
The canonical SMILES for ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite is CC.CC(=O)CCCn1cc(CCSF)nn1.
What is the InChIKey of ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite?
The InChIKey is YYSAJWMZMSKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3OS.C2H6/c1-8(14)3-2-5-13-7-9(11-12-13)4-6-15-10;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite?
ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite has a molecular weight of 261.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(4-oxopentyl)triazol-4-yl]ethyl thiohypofluorite is sourced from PubChem (CID 145282487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).