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

C7H12OS — CID 123542016

IUPAC4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran
SMILESCSCC1=CCOCC1
InChIInChI=1S/C7H12OS/c1-9-6-7-2-4-8-5-3-7/h2H,3-6H2,1H3
InChIKeyYDPVKSMISVZBJA-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.70
Rot. Bonds2

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

4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran (PubChem CID 123542016) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran
PubChem CID123542016
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran
SMILESCSCC1=CCOCC1
InChIInChI=1S/C7H12OS/c1-9-6-7-2-4-8-5-3-7/h2H,3-6H2,1H3
InChIKeyYDPVKSMISVZBJA-UHFFFAOYSA-N
XLogP1.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-2-[(E)-4-methylpent-2-en-2-yl]-1,3-oxathiane
CID 20582801
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
CID 20605805
7,7a-dihydro-5H-thieno[2,3-c]pyran
CID 21936774
4-(2-Methoxyethylidene)thiane
CID 59255544
3,7a-dihydro-2H-thieno[2,3-b]pyran
CID 67038970
4,6-dihydro-3aH-thieno[3,2-c]pyran
CID 69316347
4,4-Dimethyl-2-(4-methylpent-2-en-2-yl)-1,3-oxathiane
CID 73688541
5-ethylsulfanyl-4-methyl-3,6-dihydro-2H-pyran
CID 89211426
6-methylsulfanyl-3,6-dihydro-2H-pyran
CID 91493102
5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran
CID 130224435
1-(3,6-dihydro-2H-pyran-4-yl)ethanethiol
CID 146614910
4-methylsulfanyl-3,6-dihydro-2H-pyran
CID 149259132

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran (CID 123542016) is 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran is CSCC1=CCOCC1.
What is the InChIKey of 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran?
The InChIKey is YDPVKSMISVZBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-9-6-7-2-4-8-5-3-7/h2H,3-6H2,1H3.
What are the key properties of 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran?
4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran has a molecular weight of 144.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 123542016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).