2,2,4,4-tetramethylpentane-3-sulfinyl chloride

C9H19ClOS — CID 71397719

IUPAC2,2,4,4-tetramethylpentane-3-sulfinyl chloride
SMILESCC(C)(C)C(S(=O)Cl)C(C)(C)C
InChIInChI=1S/C9H19ClOS/c1-8(2,3)7(12(10)11)9(4,5)6/h7H,1-6H3
InChIKeyGZGUUUKGBCCEAV-UHFFFAOYSA-N
MW210.77 g/mol
LogP3.35
Rot. Bonds1

About 2,2,4,4-tetramethylpentane-3-sulfinyl chloride

2,2,4,4-tetramethylpentane-3-sulfinyl chloride (PubChem CID 71397719) has the molecular formula C9H19ClOS and a molecular weight of 210.77 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentane-3-sulfinyl chloride.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentane-3-sulfinyl chloride
PubChem CID71397719
Molecular FormulaC9H19ClOS
Molecular Weight210.77 g/mol
Exact Mass210.08
IUPAC Name2,2,4,4-tetramethylpentane-3-sulfinyl chloride
SMILESCC(C)(C)C(S(=O)Cl)C(C)(C)C
InChIInChI=1S/C9H19ClOS/c1-8(2,3)7(12(10)11)9(4,5)6/h7H,1-6H3
InChIKeyGZGUUUKGBCCEAV-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.77
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentane-3-sulfinyl chloride?
The IUPAC name of 2,2,4,4-tetramethylpentane-3-sulfinyl chloride (CID 71397719) is 2,2,4,4-tetramethylpentane-3-sulfinyl chloride.
What is the SMILES notation for 2,2,4,4-tetramethylpentane-3-sulfinyl chloride?
The canonical SMILES for 2,2,4,4-tetramethylpentane-3-sulfinyl chloride is CC(C)(C)C(S(=O)Cl)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethylpentane-3-sulfinyl chloride?
The InChIKey is GZGUUUKGBCCEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClOS/c1-8(2,3)7(12(10)11)9(4,5)6/h7H,1-6H3.
What are the key properties of 2,2,4,4-tetramethylpentane-3-sulfinyl chloride?
2,2,4,4-tetramethylpentane-3-sulfinyl chloride has a molecular weight of 210.77 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentane-3-sulfinyl chloride is sourced from PubChem (CID 71397719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).