2,2-dimethylpropane-1-sulfinyl chloride

C5H11ClOS — CID 12861209

IUPAC2,2-dimethylpropane-1-sulfinyl chloride
SMILESCC(C)(C)CS(=O)Cl
InChIInChI=1S/C5H11ClOS/c1-5(2,3)4-8(6)7/h4H2,1-3H3
InChIKeyIFDYZVIEBKJYIW-UHFFFAOYSA-N
MW154.66 g/mol
LogP1.93
Rot. Bonds1

About 2,2-dimethylpropane-1-sulfinyl chloride

2,2-dimethylpropane-1-sulfinyl chloride (PubChem CID 12861209) has the molecular formula C5H11ClOS and a molecular weight of 154.66 g/mol. Its IUPAC name is 2,2-dimethylpropane-1-sulfinyl chloride.

Molecular Properties

Compound Name2,2-dimethylpropane-1-sulfinyl chloride
PubChem CID12861209
Molecular FormulaC5H11ClOS
Molecular Weight154.66 g/mol
Exact Mass154.02
IUPAC Name2,2-dimethylpropane-1-sulfinyl chloride
SMILESCC(C)(C)CS(=O)Cl
InChIInChI=1S/C5H11ClOS/c1-5(2,3)4-8(6)7/h4H2,1-3H3
InChIKeyIFDYZVIEBKJYIW-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.66
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1-sulfinyl chloride?
The IUPAC name of 2,2-dimethylpropane-1-sulfinyl chloride (CID 12861209) is 2,2-dimethylpropane-1-sulfinyl chloride.
What is the SMILES notation for 2,2-dimethylpropane-1-sulfinyl chloride?
The canonical SMILES for 2,2-dimethylpropane-1-sulfinyl chloride is CC(C)(C)CS(=O)Cl.
What is the InChIKey of 2,2-dimethylpropane-1-sulfinyl chloride?
The InChIKey is IFDYZVIEBKJYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClOS/c1-5(2,3)4-8(6)7/h4H2,1-3H3.
What are the key properties of 2,2-dimethylpropane-1-sulfinyl chloride?
2,2-dimethylpropane-1-sulfinyl chloride has a molecular weight of 154.66 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1-sulfinyl chloride is sourced from PubChem (CID 12861209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).