2-methylidenethiolane 1-oxide

C5H8OS — CID 11137140

IUPAC2-methylidenethiolane 1-oxide
SMILESC=C1CCCS1=O
InChIInChI=1S/C5H8OS/c1-5-3-2-4-7(5)6/h1-4H2
InChIKeyGCJKQOAAODGUJM-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.04
Rot. Bonds

About 2-methylidenethiolane 1-oxide

2-methylidenethiolane 1-oxide (PubChem CID 11137140) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2-methylidenethiolane 1-oxide.

Molecular Properties

Compound Name2-methylidenethiolane 1-oxide
PubChem CID11137140
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2-methylidenethiolane 1-oxide
SMILESC=C1CCCS1=O
InChIInChI=1S/C5H8OS/c1-5-3-2-4-7(5)6/h1-4H2
InChIKeyGCJKQOAAODGUJM-UHFFFAOYSA-N
XLogP1.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenethiolane 1-oxide?
The IUPAC name of 2-methylidenethiolane 1-oxide (CID 11137140) is 2-methylidenethiolane 1-oxide.
What is the SMILES notation for 2-methylidenethiolane 1-oxide?
The canonical SMILES for 2-methylidenethiolane 1-oxide is C=C1CCCS1=O.
What is the InChIKey of 2-methylidenethiolane 1-oxide?
The InChIKey is GCJKQOAAODGUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-5-3-2-4-7(5)6/h1-4H2.
What are the key properties of 2-methylidenethiolane 1-oxide?
2-methylidenethiolane 1-oxide has a molecular weight of 116.19 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenethiolane 1-oxide is sourced from PubChem (CID 11137140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).