1,1-dichloro-1-sulfanyloxyethane

C2H4Cl2OS — CID 21115275

IUPAC1,1-dichloro-1-sulfanyloxyethane
SMILESCC(Cl)(Cl)OS
InChIInChI=1S/C2H4Cl2OS/c1-2(3,4)5-6/h6H,1H3
InChIKeyMHORDRJTEOPGQB-UHFFFAOYSA-N
MW147.03 g/mol
LogP2.00
Rot. Bonds1

About 1,1-dichloro-1-sulfanyloxyethane

1,1-dichloro-1-sulfanyloxyethane (PubChem CID 21115275) has the molecular formula C2H4Cl2OS and a molecular weight of 147.03 g/mol. Its IUPAC name is 1,1-dichloro-1-sulfanyloxyethane.

Molecular Properties

Compound Name1,1-dichloro-1-sulfanyloxyethane
PubChem CID21115275
Molecular FormulaC2H4Cl2OS
Molecular Weight147.03 g/mol
Exact Mass145.94
IUPAC Name1,1-dichloro-1-sulfanyloxyethane
SMILESCC(Cl)(Cl)OS
InChIInChI=1S/C2H4Cl2OS/c1-2(3,4)5-6/h6H,1H3
InChIKeyMHORDRJTEOPGQB-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.03
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

trichloro(sulfanyloxy)methane
CID 154085251
1,1-dichloro-1-hydroperoxyethane
CID 13297790
1,1-dichloroethoxysilane
CID 123382571
2,2-dichloropropane;zinc
CID 162195997
2-methyl-2-sulfanyloxybutane
CID 141118976
2-methoxy-2,3-dimethyl-3-sulfanyloxybutane
CID 123257437
1,1-dichloro-1-(dihydroxyamino)oxyethane
CID 88562534
1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
CID 19814535
chloromethane;2,2-dimethylpropane
CID 142899692
1,1-dichloro-1-iodoethane
CID 23510619
2-methyl-4-sulfanyloxybutane-1,1,1,2,3,3,4,4-octathiol
CID 146291911
2-deuteriosulfanyl-2-methylpropane
CID 15557889

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-sulfanyloxyethane?
The IUPAC name of 1,1-dichloro-1-sulfanyloxyethane (CID 21115275) is 1,1-dichloro-1-sulfanyloxyethane.
What is the SMILES notation for 1,1-dichloro-1-sulfanyloxyethane?
The canonical SMILES for 1,1-dichloro-1-sulfanyloxyethane is CC(Cl)(Cl)OS.
What is the InChIKey of 1,1-dichloro-1-sulfanyloxyethane?
The InChIKey is MHORDRJTEOPGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2OS/c1-2(3,4)5-6/h6H,1H3.
What are the key properties of 1,1-dichloro-1-sulfanyloxyethane?
1,1-dichloro-1-sulfanyloxyethane has a molecular weight of 147.03 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-sulfanyloxyethane is sourced from PubChem (CID 21115275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).