1-(2-bromoethylsulfanyl)-2-methylsulfanylethane

C5H11BrS2 — CID 19010428

IUPAC1-(2-bromoethylsulfanyl)-2-methylsulfanylethane
SMILESCSCCSCCBr
InChIInChI=1S/C5H11BrS2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
InChIKeyOGUDEDNRSBUCDK-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane

1-(2-bromoethylsulfanyl)-2-methylsulfanylethane (PubChem CID 19010428) has the molecular formula C5H11BrS2 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane.

Molecular Properties

Compound Name1-(2-bromoethylsulfanyl)-2-methylsulfanylethane
PubChem CID19010428
Molecular FormulaC5H11BrS2
Molecular Weight215.18 g/mol
Exact Mass213.95
IUPAC Name1-(2-bromoethylsulfanyl)-2-methylsulfanylethane
SMILESCSCCSCCBr
InChIInChI=1S/C5H11BrS2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
InChIKeyOGUDEDNRSBUCDK-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

CID 45572
CID 45572
CID 245296
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CID 93053
CID 93053
CID 43445846
CID 43445846
CID 3031833
CID 3031833
CID 21527191
CID 21527191
CID 13034556
CID 13034556
CID 71445885
CID 71445885
CID 85774500
CID 85774500
CID 134896257
CID 134896257
CID 134994333
CID 134994333
CID 176443356
CID 176443356

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane?
The IUPAC name of 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane (CID 19010428) is 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane.
What is the SMILES notation for 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane?
The canonical SMILES for 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane is CSCCSCCBr.
What is the InChIKey of 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane?
The InChIKey is OGUDEDNRSBUCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrS2/c1-7-4-5-8-3-2-6/h2-5H2,1H3.
What are the key properties of 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane?
1-(2-bromoethylsulfanyl)-2-methylsulfanylethane has a molecular weight of 215.18 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethylsulfanyl)-2-methylsulfanylethane is sourced from PubChem (CID 19010428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).