4-(methyldisulfanyl)-3,6-dihydro-2H-pyran

C6H10OS2 — CID 123860432

IUPAC4-(methyldisulfanyl)-3,6-dihydro-2H-pyran
SMILESCSSC1=CCOCC1
InChIInChI=1S/C6H10OS2/c1-8-9-6-2-4-7-5-3-6/h2H,3-5H2,1H3
InChIKeySSCPVNZNGRVREA-UHFFFAOYSA-N
MW162.28 g/mol
LogP2.30
Rot. Bonds2

About 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran

4-(methyldisulfanyl)-3,6-dihydro-2H-pyran (PubChem CID 123860432) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(methyldisulfanyl)-3,6-dihydro-2H-pyran
PubChem CID123860432
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name4-(methyldisulfanyl)-3,6-dihydro-2H-pyran
SMILESCSSC1=CCOCC1
InChIInChI=1S/C6H10OS2/c1-8-9-6-2-4-7-5-3-6/h2H,3-5H2,1H3
InChIKeySSCPVNZNGRVREA-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran
CID 123542016
N-methyl-3,6-dihydro-2H-pyran-4-amine
CID 70244327
3,6-dihydro-2H-pyran-4-ylphosphane
CID 163247007
N-(3,6-dihydro-2H-pyran-4-yl)acetamide
CID 70641339
3,6-dihydro-2H-pyran-4-yl hypoiodite
CID 143890471
4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole
CID 121273540
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
CID 166005450
4-methylsulfanyl-2,3-dihydrofuran
CID 154990187
5-bromo-2,3,4,7-tetrahydrooxepine
CID 156706132
4-ethenoxy-3,6-dihydro-2H-pyran
CID 163909673
2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride
CID 71757140
4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
CID 162435420

Frequently Asked Questions

What is the IUPAC name of 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran (CID 123860432) is 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran is CSSC1=CCOCC1.
What is the InChIKey of 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran?
The InChIKey is SSCPVNZNGRVREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-8-9-6-2-4-7-5-3-6/h2H,3-5H2,1H3.
What are the key properties of 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran?
4-(methyldisulfanyl)-3,6-dihydro-2H-pyran has a molecular weight of 162.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyldisulfanyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 123860432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).