(3-propan-2-yl-2-propylphenyl) thiohypofluorite

C12H17FS — CID 129070029

IUPAC(3-propan-2-yl-2-propylphenyl) thiohypofluorite
SMILESCCCc1c(SF)cccc1C(C)C
InChIInChI=1S/C12H17FS/c1-4-6-11-10(9(2)3)7-5-8-12(11)14-13/h5,7-9H,4,6H2,1-3H3
InChIKeyHYPMHZMTLVOHKI-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.74
Rot. Bonds4

About (3-propan-2-yl-2-propylphenyl) thiohypofluorite

(3-propan-2-yl-2-propylphenyl) thiohypofluorite (PubChem CID 129070029) has the molecular formula C12H17FS and a molecular weight of 212.33 g/mol. Its IUPAC name is (3-propan-2-yl-2-propylphenyl) thiohypofluorite.

Molecular Properties

Compound Name(3-propan-2-yl-2-propylphenyl) thiohypofluorite
PubChem CID129070029
Molecular FormulaC12H17FS
Molecular Weight212.33 g/mol
Exact Mass212.10
IUPAC Name(3-propan-2-yl-2-propylphenyl) thiohypofluorite
SMILESCCCc1c(SF)cccc1C(C)C
InChIInChI=1S/C12H17FS/c1-4-6-11-10(9(2)3)7-5-8-12(11)14-13/h5,7-9H,4,6H2,1-3H3
InChIKeyHYPMHZMTLVOHKI-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-2-propylphenyl) thiohypofluorite?
The IUPAC name of (3-propan-2-yl-2-propylphenyl) thiohypofluorite (CID 129070029) is (3-propan-2-yl-2-propylphenyl) thiohypofluorite.
What is the SMILES notation for (3-propan-2-yl-2-propylphenyl) thiohypofluorite?
The canonical SMILES for (3-propan-2-yl-2-propylphenyl) thiohypofluorite is CCCc1c(SF)cccc1C(C)C.
What is the InChIKey of (3-propan-2-yl-2-propylphenyl) thiohypofluorite?
The InChIKey is HYPMHZMTLVOHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FS/c1-4-6-11-10(9(2)3)7-5-8-12(11)14-13/h5,7-9H,4,6H2,1-3H3.
What are the key properties of (3-propan-2-yl-2-propylphenyl) thiohypofluorite?
(3-propan-2-yl-2-propylphenyl) thiohypofluorite has a molecular weight of 212.33 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-2-propylphenyl) thiohypofluorite is sourced from PubChem (CID 129070029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).