4-propan-2-ylsulfanylbenzenesulfonyl fluoride

C9H11FO2S2 — CID 82475958

IUPAC4-propan-2-ylsulfanylbenzenesulfonyl fluoride
SMILESCC(C)Sc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H11FO2S2/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3
InChIKeyVVUOXDMXZSYDTQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.85
Rot. Bonds3

About 4-propan-2-ylsulfanylbenzenesulfonyl fluoride

4-propan-2-ylsulfanylbenzenesulfonyl fluoride (PubChem CID 82475958) has the molecular formula C9H11FO2S2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-propan-2-ylsulfanylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-propan-2-ylsulfanylbenzenesulfonyl fluoride
PubChem CID82475958
Molecular FormulaC9H11FO2S2
Molecular Weight234.32 g/mol
Exact Mass234.02
IUPAC Name4-propan-2-ylsulfanylbenzenesulfonyl fluoride
SMILESCC(C)Sc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H11FO2S2/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3
InChIKeyVVUOXDMXZSYDTQ-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanylbenzenesulfonyl fluoride?
The IUPAC name of 4-propan-2-ylsulfanylbenzenesulfonyl fluoride (CID 82475958) is 4-propan-2-ylsulfanylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-propan-2-ylsulfanylbenzenesulfonyl fluoride?
The canonical SMILES for 4-propan-2-ylsulfanylbenzenesulfonyl fluoride is CC(C)Sc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-propan-2-ylsulfanylbenzenesulfonyl fluoride?
The InChIKey is VVUOXDMXZSYDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S2/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3.
What are the key properties of 4-propan-2-ylsulfanylbenzenesulfonyl fluoride?
4-propan-2-ylsulfanylbenzenesulfonyl fluoride has a molecular weight of 234.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanylbenzenesulfonyl fluoride is sourced from PubChem (CID 82475958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).