3-methoxy-2-methylpropane-1-sulfinyl chloride

C5H11ClO2S — CID 165459514

IUPAC3-methoxy-2-methylpropane-1-sulfinyl chloride
SMILESCOCC(C)CS(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(3-8-2)4-9(6)7/h5H,3-4H2,1-2H3
InChIKeyOHPQSKRSGRQMIO-UHFFFAOYSA-N
MW170.66 g/mol
LogP1.17
Rot. Bonds4

About 3-methoxy-2-methylpropane-1-sulfinyl chloride

3-methoxy-2-methylpropane-1-sulfinyl chloride (PubChem CID 165459514) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is 3-methoxy-2-methylpropane-1-sulfinyl chloride.

Molecular Properties

Compound Name3-methoxy-2-methylpropane-1-sulfinyl chloride
PubChem CID165459514
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Name3-methoxy-2-methylpropane-1-sulfinyl chloride
SMILESCOCC(C)CS(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(3-8-2)4-9(6)7/h5H,3-4H2,1-2H3
InChIKeyOHPQSKRSGRQMIO-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylpropane-1-sulfinyl chloride?
The IUPAC name of 3-methoxy-2-methylpropane-1-sulfinyl chloride (CID 165459514) is 3-methoxy-2-methylpropane-1-sulfinyl chloride.
What is the SMILES notation for 3-methoxy-2-methylpropane-1-sulfinyl chloride?
The canonical SMILES for 3-methoxy-2-methylpropane-1-sulfinyl chloride is COCC(C)CS(=O)Cl.
What is the InChIKey of 3-methoxy-2-methylpropane-1-sulfinyl chloride?
The InChIKey is OHPQSKRSGRQMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-5(3-8-2)4-9(6)7/h5H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-2-methylpropane-1-sulfinyl chloride?
3-methoxy-2-methylpropane-1-sulfinyl chloride has a molecular weight of 170.66 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylpropane-1-sulfinyl chloride is sourced from PubChem (CID 165459514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).