2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane

C8H17ClO2S2 — CID 106736034

IUPAC2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)CCSCCCl
InChIInChI=1S/C8H17ClO2S2/c1-8(2,3)13(10,11)7-6-12-5-4-9/h4-7H2,1-3H3
InChIKeyHGFPRBNSFNTEHE-UHFFFAOYSA-N
MW244.81 g/mol
LogP2.17
Rot. Bonds5

About 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane

2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane (PubChem CID 106736034) has the molecular formula C8H17ClO2S2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane.

Molecular Properties

Compound Name2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
PubChem CID106736034
Molecular FormulaC8H17ClO2S2
Molecular Weight244.81 g/mol
Exact Mass244.04
IUPAC Name2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)CCSCCCl
InChIInChI=1S/C8H17ClO2S2/c1-8(2,3)13(10,11)7-6-12-5-4-9/h4-7H2,1-3H3
InChIKeyHGFPRBNSFNTEHE-UHFFFAOYSA-N
XLogP2.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
CID 106721869
2-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
CID 106721890
4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
CID 106734842
2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane
CID 90754413
2-(2-iodoethylsulfonyl)-2-methylpropane
CID 106732671
3-(2-tert-butylsulfonylethyl)-5-chloropentan-2-one
CID 106729211
1-chloro-3-(2-propylsulfonylethylsulfanyl)propane
CID 106736039
5-tert-butylsulfonyl-1-chloro-2-methylpentane
CID 106732552
N-(2-tert-butylsulfonylethyl)-1-chloro-4-methylpentan-3-amine
CID 106353871
4-(2-tert-butylsulfonylethylsulfanyl)benzoic acid
CID 106721836
1-(2-chloroethylsulfanyl)-2-methylsulfinylethane
CID 127017144
5-tert-butylsulfonylpentan-1-ol
CID 14965524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane?
The IUPAC name of 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane (CID 106736034) is 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane.
What is the SMILES notation for 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane?
The canonical SMILES for 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane is CC(C)(C)S(=O)(=O)CCSCCCl.
What is the InChIKey of 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane?
The InChIKey is HGFPRBNSFNTEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2S2/c1-8(2,3)13(10,11)7-6-12-5-4-9/h4-7H2,1-3H3.
What are the key properties of 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane?
2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane has a molecular weight of 244.81 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane is sourced from PubChem (CID 106736034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).