2-(3-chloro-2-methylpropyl)sulfanyloxane

C9H17ClOS — CID 139789286

IUPAC2-(3-chloro-2-methylpropyl)sulfanyloxane
SMILESCC(CCl)CSC1CCCCO1
InChIInChI=1S/C9H17ClOS/c1-8(6-10)7-12-9-4-2-3-5-11-9/h8-9H,2-7H2,1H3
InChIKeyGAOYFDRNHOQBOY-UHFFFAOYSA-N
MW208.75 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-chloro-2-methylpropyl)sulfanyloxane

2-(3-chloro-2-methylpropyl)sulfanyloxane (PubChem CID 139789286) has the molecular formula C9H17ClOS and a molecular weight of 208.75 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpropyl)sulfanyloxane.

Molecular Properties

Compound Name2-(3-chloro-2-methylpropyl)sulfanyloxane
PubChem CID139789286
Molecular FormulaC9H17ClOS
Molecular Weight208.75 g/mol
Exact Mass208.07
IUPAC Name2-(3-chloro-2-methylpropyl)sulfanyloxane
SMILESCC(CCl)CSC1CCCCO1
InChIInChI=1S/C9H17ClOS/c1-8(6-10)7-12-9-4-2-3-5-11-9/h8-9H,2-7H2,1H3
InChIKeyGAOYFDRNHOQBOY-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.75
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chloroethylthio)tetrahydropyran
CID 19593895
2-(1-Chloro-2-methylpropan-2-yl)sulfanyloxane
CID 19593912
2-(2-Chloro-2-methylpropyl)sulfanyloxane
CID 19593919
3-(2-Methylpropylsulfanyl)oxane
CID 53816271
4-(2-Methylpropylsulfanyl)oxane
CID 54027749
2-(2-Methylpropylsulfanyl)oxane
CID 54151603
1-Chloro-1-(2-ethylsulfanylethoxy)-2-methylpropane
CID 140143798
1-Chloro-1-(1-ethylsulfanylethoxy)-2-methylpropane
CID 140168904
2-(5-Chloropentylsulfanyl)oxane
CID 11106965
4-(2-Chloroethylsulfanyl)oxane
CID 62995865
4-(5-Chloropentylsulfanyl)oxane
CID 62996049
4-(3-Chloropropylsulfanyl)oxane
CID 62996051

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpropyl)sulfanyloxane?
The IUPAC name of 2-(3-chloro-2-methylpropyl)sulfanyloxane (CID 139789286) is 2-(3-chloro-2-methylpropyl)sulfanyloxane.
What is the SMILES notation for 2-(3-chloro-2-methylpropyl)sulfanyloxane?
The canonical SMILES for 2-(3-chloro-2-methylpropyl)sulfanyloxane is CC(CCl)CSC1CCCCO1.
What is the InChIKey of 2-(3-chloro-2-methylpropyl)sulfanyloxane?
The InChIKey is GAOYFDRNHOQBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClOS/c1-8(6-10)7-12-9-4-2-3-5-11-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-(3-chloro-2-methylpropyl)sulfanyloxane?
2-(3-chloro-2-methylpropyl)sulfanyloxane has a molecular weight of 208.75 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpropyl)sulfanyloxane is sourced from PubChem (CID 139789286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).