3,3-dimethylbutane-1-sulfinyl chloride

C6H13ClOS — CID 131046458

IUPAC3,3-dimethylbutane-1-sulfinyl chloride
SMILESCC(C)(C)CCS(=O)Cl
InChIInChI=1S/C6H13ClOS/c1-6(2,3)4-5-9(7)8/h4-5H2,1-3H3
InChIKeyVUWSXAFSJMQTHK-UHFFFAOYSA-N
MW168.69 g/mol
LogP2.33
Rot. Bonds2

About 3,3-dimethylbutane-1-sulfinyl chloride

3,3-dimethylbutane-1-sulfinyl chloride (PubChem CID 131046458) has the molecular formula C6H13ClOS and a molecular weight of 168.69 g/mol. Its IUPAC name is 3,3-dimethylbutane-1-sulfinyl chloride.

Molecular Properties

Compound Name3,3-dimethylbutane-1-sulfinyl chloride
PubChem CID131046458
Molecular FormulaC6H13ClOS
Molecular Weight168.69 g/mol
Exact Mass168.04
IUPAC Name3,3-dimethylbutane-1-sulfinyl chloride
SMILESCC(C)(C)CCS(=O)Cl
InChIInChI=1S/C6H13ClOS/c1-6(2,3)4-5-9(7)8/h4-5H2,1-3H3
InChIKeyVUWSXAFSJMQTHK-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutane-1-sulfinyl chloride?
The IUPAC name of 3,3-dimethylbutane-1-sulfinyl chloride (CID 131046458) is 3,3-dimethylbutane-1-sulfinyl chloride.
What is the SMILES notation for 3,3-dimethylbutane-1-sulfinyl chloride?
The canonical SMILES for 3,3-dimethylbutane-1-sulfinyl chloride is CC(C)(C)CCS(=O)Cl.
What is the InChIKey of 3,3-dimethylbutane-1-sulfinyl chloride?
The InChIKey is VUWSXAFSJMQTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClOS/c1-6(2,3)4-5-9(7)8/h4-5H2,1-3H3.
What are the key properties of 3,3-dimethylbutane-1-sulfinyl chloride?
3,3-dimethylbutane-1-sulfinyl chloride has a molecular weight of 168.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutane-1-sulfinyl chloride is sourced from PubChem (CID 131046458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).