2,2-Dimethyltetrahydro-4h-thiopyran-4-one

HCID 287564

Completing data — usually done within a minute

Basic information

CAS
2323-13-9
Standard SMILES
CC1(C)CC(=O)CCS1
InChIKey
QAABZONQGGPNCG-UHFFFAOYSA-N
Molecular formula
C7H12OS
Average molar mass
144.24 g/mol
Monoisotopic mass
144.060886

Names & identifiers

Preferred name
2,2-Dimethyltetrahydro-4h-thiopyran-4-one
IUPAC
2,2-dimethylthian-4-one

Names & synonyms

2323-13-92,2-dimethyltetrahydro-4h-thiopyran-4-oneDTXSID30301956RefChem:243624DTXCID602530902,2-dimethylthian-4-one2,2-Dimethyldihydro-2H-thiopyran-4(3H)-one2,2-Dimethyl-tetrahydro-thiopyran-4-one4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-MFCD193009242,2-dimethyltetrahydrothiopyran-4-oneNSC147619
Show more names
tetrahydro-2,2-dimethyl-4H-thiopyran-4-one4H-Thiopyran-4-one,tetrahydro-2,2-dimethyl-SCHEMBL620896NSC-147619SY5672974H-Thiopyran-4-one, tetrahydro-, 2,2-dimethyl-

Database identifiers

CAS
2323-13-9
PubChem CID
287564
DTXSID
DTXSID30301956

Properties

Computed structural propertiesFilling in

XLogP
0.9
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Related reactions

8 records

Compound notes

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