methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane

C11H22O2S2 — CID 147463001

IUPACmethyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane
SMILESC[C@@H](CCCOC1CCCCO1)S(C)=S
InChIInChI=1S/C11H22O2S2/c1-10(15(2)14)6-5-9-13-11-7-3-4-8-12-11/h10-11H,3-9H2,1-2H3/t10-,11?,15?/m0/s1
InChIKeyFAGZXFBNHJRTMJ-NLTNOIMHSA-N
MW250.43 g/mol
LogP2.41
Rot. Bonds6

About methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane

methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane (PubChem CID 147463001) has the molecular formula C11H22O2S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane
PubChem CID147463001
Molecular FormulaC11H22O2S2
Molecular Weight250.43 g/mol
Exact Mass250.11
IUPAC Namemethyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane
SMILESC[C@@H](CCCOC1CCCCO1)S(C)=S
InChIInChI=1S/C11H22O2S2/c1-10(15(2)14)6-5-9-13-11-7-3-4-8-12-11/h10-11H,3-9H2,1-2H3/t10-,11?,15?/m0/s1
InChIKeyFAGZXFBNHJRTMJ-NLTNOIMHSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane?
The IUPAC name of methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane (CID 147463001) is methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane.
What is the SMILES notation for methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane?
The canonical SMILES for methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane is C[C@@H](CCCOC1CCCCO1)S(C)=S.
What is the InChIKey of methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane?
The InChIKey is FAGZXFBNHJRTMJ-NLTNOIMHSA-N. The full InChI is InChI=1S/C11H22O2S2/c1-10(15(2)14)6-5-9-13-11-7-3-4-8-12-11/h10-11H,3-9H2,1-2H3/t10-,11?,15?/m0/s1.
What are the key properties of methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane?
methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane has a molecular weight of 250.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2S)-5-(oxan-2-yloxy)pentan-2-yl]-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 147463001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).