(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane

C8H18S2 — CID 7458634

IUPAC(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
SMILESCC[C@@H](C)SS[C@@H](C)CC
InChIInChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyQTWKINKGAHTPFJ-OCAPTIKFSA-N
MW178.37 g/mol
LogP3.96
Rot. Bonds5

About (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane

(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane (PubChem CID 7458634) has the molecular formula C8H18S2 and a molecular weight of 178.37 g/mol. Its IUPAC name is (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane.

Molecular Properties

Compound Name(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
PubChem CID7458634
Molecular FormulaC8H18S2
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
SMILESCC[C@@H](C)SS[C@@H](C)CC
InChIInChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyQTWKINKGAHTPFJ-OCAPTIKFSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane?
The IUPAC name of (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane (CID 7458634) is (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane.
What is the SMILES notation for (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane?
The canonical SMILES for (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane is CC[C@@H](C)SS[C@@H](C)CC.
What is the InChIKey of (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane?
The InChIKey is QTWKINKGAHTPFJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8+.
What are the key properties of (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane?
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane has a molecular weight of 178.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane is sourced from PubChem (CID 7458634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).