1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen

C8H20Cl2O2S2 — CID 161060282

IUPAC1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen
SMILESClCCSCCCl.OCCSCCO.[H][H]
InChIInChI=1S/C4H8Cl2S.C4H10O2S.H2/c2*5-1-3-7-4-2-6;/h1-4H2;5-6H,1-4H2;1H
InChIKeyUDHOJZSPOYZXIE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.15
Rot. Bonds8

About 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen

1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen (PubChem CID 161060282) has the molecular formula C8H20Cl2O2S2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen
PubChem CID161060282
Molecular FormulaC8H20Cl2O2S2
Molecular Weight283.29 g/mol
Exact Mass282.03
IUPAC Name1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen
SMILESClCCSCCCl.OCCSCCO.[H][H]
InChIInChI=1S/C4H8Cl2S.C4H10O2S.H2/c2*5-1-3-7-4-2-6;/h1-4H2;5-6H,1-4H2;1H
InChIKeyUDHOJZSPOYZXIE-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2-ethylsulfanylethylsulfanyl)ethanol
CID 528228
2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
CID 159661309
2-(2-methylsulfanylethylsulfanyl)ethanol
CID 15150064
2-(3-phosphanylpropylsulfanyl)ethanol
CID 134255121
2-(2-hydroxyethylsulfanyl)ethanol;bis(2-sulfanylacetic acid)
CID 118376983
2-[2-(methylsulfanylmethylsulfanyl)ethylsulfanyl]ethanol
CID 127006955
2-(3-methoxy-3-methylbutyl)sulfanylethanol
CID 102975050
2-chloroethanol;tetrahydrochloride
CID 175381229
2-chloroethanol;zirconium
CID 162223906
2-(3-fluorobutylsulfanyl)ethanol
CID 130735395
bis(2-hydroxyethyl)-[2-(2-hydroxyethylsulfanyl)ethyl]sulfanium chloride
CID 3031835
2-pentadecylsulfanylethanol
CID 13120338

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen?
The IUPAC name of 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen (CID 161060282) is 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen.
What is the SMILES notation for 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen?
The canonical SMILES for 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen is ClCCSCCCl.OCCSCCO.[H][H].
What is the InChIKey of 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen?
The InChIKey is UDHOJZSPOYZXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2S.C4H10O2S.H2/c2*5-1-3-7-4-2-6;/h1-4H2;5-6H,1-4H2;1H.
What are the key properties of 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen?
1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen has a molecular weight of 283.29 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen is sourced from PubChem (CID 161060282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).