2-(2,2-dichloroethenylsulfanyl)-2-methylpropane

C6H10Cl2S — CID 12601189

IUPAC2-(2,2-dichloroethenylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SC=C(Cl)Cl
InChIInChI=1S/C6H10Cl2S/c1-6(2,3)9-4-5(7)8/h4H,1-3H3
InChIKeyAKRJPLAAKAZRBO-UHFFFAOYSA-N
MW185.12 g/mol
LogP3.79
Rot. Bonds1

About 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane

2-(2,2-dichloroethenylsulfanyl)-2-methylpropane (PubChem CID 12601189) has the molecular formula C6H10Cl2S and a molecular weight of 185.12 g/mol. Its IUPAC name is 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(2,2-dichloroethenylsulfanyl)-2-methylpropane
PubChem CID12601189
Molecular FormulaC6H10Cl2S
Molecular Weight185.12 g/mol
Exact Mass183.99
IUPAC Name2-(2,2-dichloroethenylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SC=C(Cl)Cl
InChIInChI=1S/C6H10Cl2S/c1-6(2,3)9-4-5(7)8/h4H,1-3H3
InChIKeyAKRJPLAAKAZRBO-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane (CID 12601189) is 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane is CC(C)(C)SC=C(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane?
The InChIKey is AKRJPLAAKAZRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2S/c1-6(2,3)9-4-5(7)8/h4H,1-3H3.
What are the key properties of 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane?
2-(2,2-dichloroethenylsulfanyl)-2-methylpropane has a molecular weight of 185.12 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloroethenylsulfanyl)-2-methylpropane is sourced from PubChem (CID 12601189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).