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

C5H11ClO2S — CID 165453646

IUPAC2-methoxy-2-methylpropane-1-sulfinyl chloride
SMILESCOC(C)(C)CS(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(2,8-3)4-9(6)7/h4H2,1-3H3
InChIKeyIQBQKHAXRBWOOK-UHFFFAOYSA-N
MW170.66 g/mol
LogP1.31
Rot. Bonds3

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

2-methoxy-2-methylpropane-1-sulfinyl chloride (PubChem CID 165453646) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane-1-sulfinyl chloride.

Molecular Properties

Compound Name2-methoxy-2-methylpropane-1-sulfinyl chloride
PubChem CID165453646
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Name2-methoxy-2-methylpropane-1-sulfinyl chloride
SMILESCOC(C)(C)CS(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(2,8-3)4-9(6)7/h4H2,1-3H3
InChIKeyIQBQKHAXRBWOOK-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-2-methylpropane-1-sulfinyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane-1-sulfinyl chloride?
The IUPAC name of 2-methoxy-2-methylpropane-1-sulfinyl chloride (CID 165453646) is 2-methoxy-2-methylpropane-1-sulfinyl chloride.
What is the SMILES notation for 2-methoxy-2-methylpropane-1-sulfinyl chloride?
The canonical SMILES for 2-methoxy-2-methylpropane-1-sulfinyl chloride is COC(C)(C)CS(=O)Cl.
What is the InChIKey of 2-methoxy-2-methylpropane-1-sulfinyl chloride?
The InChIKey is IQBQKHAXRBWOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-5(2,8-3)4-9(6)7/h4H2,1-3H3.
What are the key properties of 2-methoxy-2-methylpropane-1-sulfinyl chloride?
2-methoxy-2-methylpropane-1-sulfinyl chloride has a molecular weight of 170.66 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane-1-sulfinyl chloride is sourced from PubChem (CID 165453646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).