2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane

C9H17ClOS — CID 19593912

IUPAC2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane
SMILESCC(C)(CCl)SC1CCCCO1
InChIInChI=1S/C9H17ClOS/c1-9(2,7-10)12-8-5-3-4-6-11-8/h8H,3-7H2,1-2H3
InChIKeyFUSUODZGLALFFK-UHFFFAOYSA-N
MW208.75 g/mol
LogP3.26
Rot. Bonds3

About 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane

2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane (PubChem CID 19593912) has the molecular formula C9H17ClOS and a molecular weight of 208.75 g/mol. Its IUPAC name is 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane.

Molecular Properties

Compound Name2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane
PubChem CID19593912
Molecular FormulaC9H17ClOS
Molecular Weight208.75 g/mol
Exact Mass208.07
IUPAC Name2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane
SMILESCC(C)(CCl)SC1CCCCO1
InChIInChI=1S/C9H17ClOS/c1-9(2,7-10)12-8-5-3-4-6-11-8/h8H,3-7H2,1-2H3
InChIKeyFUSUODZGLALFFK-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane?
The IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane (CID 19593912) is 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane.
What is the SMILES notation for 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane?
The canonical SMILES for 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane is CC(C)(CCl)SC1CCCCO1.
What is the InChIKey of 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane?
The InChIKey is FUSUODZGLALFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClOS/c1-9(2,7-10)12-8-5-3-4-6-11-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane?
2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane has a molecular weight of 208.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methylpropan-2-yl)sulfanyloxane is sourced from PubChem (CID 19593912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).