bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane

C4H10Br2S — CID 13034556

IUPACbromo-(2-bromoethyl)-dimethyl-lambda4-sulfane
SMILESCS(C)(Br)CCBr
InChIInChI=1S/C4H10Br2S/c1-7(2,6)4-3-5/h3-4H2,1-2H3
InChIKeyHMWHGCXGNLSPGP-UHFFFAOYSA-N
MW250.00 g/mol
LogP2.76
Rot. Bonds2

About bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane

bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane (PubChem CID 13034556) has the molecular formula C4H10Br2S and a molecular weight of 250.00 g/mol. Its IUPAC name is bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane.

Molecular Properties

Compound Namebromo-(2-bromoethyl)-dimethyl-lambda4-sulfane
PubChem CID13034556
Molecular FormulaC4H10Br2S
Molecular Weight250.00 g/mol
Exact Mass247.89
IUPAC Namebromo-(2-bromoethyl)-dimethyl-lambda4-sulfane
SMILESCS(C)(Br)CCBr
InChIInChI=1S/C4H10Br2S/c1-7(2,6)4-3-5/h3-4H2,1-2H3
InChIKeyHMWHGCXGNLSPGP-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane?
The IUPAC name of bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane (CID 13034556) is bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane.
What is the SMILES notation for bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane?
The canonical SMILES for bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane is CS(C)(Br)CCBr.
What is the InChIKey of bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane?
The InChIKey is HMWHGCXGNLSPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Br2S/c1-7(2,6)4-3-5/h3-4H2,1-2H3.
What are the key properties of bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane?
bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane has a molecular weight of 250.00 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(2-bromoethyl)-dimethyl-lambda4-sulfane is sourced from PubChem (CID 13034556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).