(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane

C8H18O2S2 — CID 59444445

IUPAC(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane
SMILESCC[C@H](C)OSSO[C@@H](C)CC
InChIInChI=1S/C8H18O2S2/c1-5-7(3)9-11-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyCOZUQRLRJAMOQV-YUMQZZPRSA-N
MW210.36 g/mol
LogP3.83
Rot. Bonds7

About (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane

(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane (PubChem CID 59444445) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane.

Molecular Properties

Compound Name(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane
PubChem CID59444445
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane
SMILESCC[C@H](C)OSSO[C@@H](C)CC
InChIInChI=1S/C8H18O2S2/c1-5-7(3)9-11-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyCOZUQRLRJAMOQV-YUMQZZPRSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Aluminum isopropoxide
CID 11143
Aluminum sec-butoxide
CID 61289
Antimony(3+) tripropan-2-olate
CID 3034303
1,2-Diisopropoxydisulfane
CID 11052287
1-(Butoxydisulfanyl)oxybutane
CID 14251686
2-Butanol peroxide
CID 162258
Lanthanum isopropoxide
CID 9858075
2-(Butan-2-yloxydisulfanyl)oxybutane
CID 25268411
(2R)-2-[[(2R)-butan-2-yl]oxydisulfanyl]oxybutane
CID 59444442
Praseodymium(III) isopropoxide
CID 2734038
Erbium(Iii) Isopropoxide
CID 2734042
Neodymium(III) isopropoxide
CID 2734134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane?
The IUPAC name of (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane (CID 59444445) is (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane.
What is the SMILES notation for (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane?
The canonical SMILES for (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane is CC[C@H](C)OSSO[C@@H](C)CC.
What is the InChIKey of (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane?
The InChIKey is COZUQRLRJAMOQV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-5-7(3)9-11-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane?
(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane has a molecular weight of 210.36 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane is sourced from PubChem (CID 59444445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).