5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite

C8H6FNS2 — CID 142992123

IUPAC5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite
SMILESFSc1nc2c(s1)=CC=CCC=2
InChIInChI=1S/C8H6FNS2/c9-12-8-10-6-4-2-1-3-5-7(6)11-8/h1,3-5H,2H2
InChIKeyZYSVPONLHHLRBS-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.64
Rot. Bonds1

About 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite

5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite (PubChem CID 142992123) has the molecular formula C8H6FNS2 and a molecular weight of 199.28 g/mol. Its IUPAC name is 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite.

Molecular Properties

Compound Name5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite
PubChem CID142992123
Molecular FormulaC8H6FNS2
Molecular Weight199.28 g/mol
Exact Mass198.99
IUPAC Name5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite
SMILESFSc1nc2c(s1)=CC=CCC=2
InChIInChI=1S/C8H6FNS2/c9-12-8-10-6-4-2-1-3-5-7(6)11-8/h1,3-5H,2H2
InChIKeyZYSVPONLHHLRBS-UHFFFAOYSA-N
XLogP1.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite?
The IUPAC name of 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite (CID 142992123) is 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite.
What is the SMILES notation for 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite?
The canonical SMILES for 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite is FSc1nc2c(s1)=CC=CCC=2.
What is the InChIKey of 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite?
The InChIKey is ZYSVPONLHHLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS2/c9-12-8-10-6-4-2-1-3-5-7(6)11-8/h1,3-5H,2H2.
What are the key properties of 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite?
5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite has a molecular weight of 199.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite is sourced from PubChem (CID 142992123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).