2,3-dihydrothiopyran-4-one

C5H6OS — CID 11804719

IUPAC2,3-dihydrothiopyran-4-one
SMILESO=C1C=CSCC1
InChIInChI=1S/C5H6OS/c6-5-1-3-7-4-2-5/h1,3H,2,4H2
InChIKeyLJVFANGCLGJJFP-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.21
Rot. Bonds

About 2,3-dihydrothiopyran-4-one

2,3-dihydrothiopyran-4-one (PubChem CID 11804719) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 2,3-dihydrothiopyran-4-one.

Molecular Properties

Compound Name2,3-dihydrothiopyran-4-one
PubChem CID11804719
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name2,3-dihydrothiopyran-4-one
SMILESO=C1C=CSCC1
InChIInChI=1S/C5H6OS/c6-5-1-3-7-4-2-5/h1,3H,2,4H2
InChIKeyLJVFANGCLGJJFP-UHFFFAOYSA-N
XLogP1.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-thiopyran-4-one
CID 136793
2H-Thiopyran-3(4H)-one
CID 542163
thiophen-3(2H)-one
CID 13682918
2-methylthiophen-3(2H)-one
CID 14591614
Thiophene-4,5-dione
CID 20164305
Thiopyran-2,4-dione
CID 20479127
3-Oxopent-4-enethial
CID 53822442
Thiopyran-3,4-dione
CID 67060904
2,3-dihydro-4H-thiopyran-4-one 1,1-dioxide
CID 10374577
5-(Methylsulfanyl)pent-1-en-3-one
CID 12751300
2-Methyl-2,3-dihydrothiopyran-4-one
CID 91753514
3-Methylidenethiopyran-4-one
CID 11018875

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiopyran-4-one?
The IUPAC name of 2,3-dihydrothiopyran-4-one (CID 11804719) is 2,3-dihydrothiopyran-4-one.
What is the SMILES notation for 2,3-dihydrothiopyran-4-one?
The canonical SMILES for 2,3-dihydrothiopyran-4-one is O=C1C=CSCC1.
What is the InChIKey of 2,3-dihydrothiopyran-4-one?
The InChIKey is LJVFANGCLGJJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c6-5-1-3-7-4-2-5/h1,3H,2,4H2.
What are the key properties of 2,3-dihydrothiopyran-4-one?
2,3-dihydrothiopyran-4-one has a molecular weight of 114.17 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiopyran-4-one is sourced from PubChem (CID 11804719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).