2-ethenylsulfanyloxane

C7H12OS — CID 10931559

IUPAC2-ethenylsulfanyloxane
SMILESC=CSC1CCCCO1
InChIInChI=1S/C7H12OS/c1-2-9-7-5-3-4-6-8-7/h2,7H,1,3-6H2
InChIKeyWHHMSNFCHHCINQ-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds2

About 2-ethenylsulfanyloxane

2-ethenylsulfanyloxane (PubChem CID 10931559) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-ethenylsulfanyloxane.

Molecular Properties

Compound Name2-ethenylsulfanyloxane
PubChem CID10931559
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-ethenylsulfanyloxane
SMILESC=CSC1CCCCO1
InChIInChI=1S/C7H12OS/c1-2-9-7-5-3-4-6-8-7/h2,7H,1,3-6H2
InChIKeyWHHMSNFCHHCINQ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(r,s)-2-Methylsulfanyl-tetrahydro-pyran
CID 58779848
4-(Methylsulfanyl)oxane
CID 54181372
2H-Pyran, tetrahydro-2-(methylthio)-
CID 558906
3-(methylthio)tetrahydro-2H-pyran
CID 13863160
(3S)-3-methylsulfanyloxane
CID 15939412
(2R)-2-methylsulfanyloxane
CID 135022400
(3R)-3-methylsulfanyloxane
CID 21587759
dimethyl-[(3R)-oxan-3-yl]sulfanium
CID 21587761
Dimethyl(oxan-2-yl)sulfanium
CID 86175137
4-Prop-2-enylsulfanyloxane
CID 126992669
Ethenyl-methyl-(oxan-2-yl)sulfanium
CID 158507880

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyloxane?
The IUPAC name of 2-ethenylsulfanyloxane (CID 10931559) is 2-ethenylsulfanyloxane.
What is the SMILES notation for 2-ethenylsulfanyloxane?
The canonical SMILES for 2-ethenylsulfanyloxane is C=CSC1CCCCO1.
What is the InChIKey of 2-ethenylsulfanyloxane?
The InChIKey is WHHMSNFCHHCINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-9-7-5-3-4-6-8-7/h2,7H,1,3-6H2.
What are the key properties of 2-ethenylsulfanyloxane?
2-ethenylsulfanyloxane has a molecular weight of 144.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyloxane is sourced from PubChem (CID 10931559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).