(2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane

C6H12Br2S — CID 102014953

IUPAC(2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane
SMILESC[C@H](Br)CSC[C@H](C)Br
InChIInChI=1S/C6H12Br2S/c1-5(7)3-9-4-6(2)8/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyILVDQPDGZBSOAJ-WDSKDSINSA-N
MW276.04 g/mol
LogP3.29
Rot. Bonds4

About (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane

(2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane (PubChem CID 102014953) has the molecular formula C6H12Br2S and a molecular weight of 276.04 g/mol. Its IUPAC name is (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane.

Molecular Properties

Compound Name(2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane
PubChem CID102014953
Molecular FormulaC6H12Br2S
Molecular Weight276.04 g/mol
Exact Mass273.90
IUPAC Name(2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane
SMILESC[C@H](Br)CSC[C@H](C)Br
InChIInChI=1S/C6H12Br2S/c1-5(7)3-9-4-6(2)8/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyILVDQPDGZBSOAJ-WDSKDSINSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane?
The IUPAC name of (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane (CID 102014953) is (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane.
What is the SMILES notation for (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane?
The canonical SMILES for (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane is C[C@H](Br)CSC[C@H](C)Br.
What is the InChIKey of (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane?
The InChIKey is ILVDQPDGZBSOAJ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12Br2S/c1-5(7)3-9-4-6(2)8/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane?
(2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane has a molecular weight of 276.04 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-1-[(2S)-2-bromopropyl]sulfanylpropane is sourced from PubChem (CID 102014953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).