2,3-dihydrothiochromen-4-one

C9H8OS — CID 19048

IUPAC2,3-dihydrothiochromen-4-one
SMILESO=C1CCSc2ccccc21
InChIInChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKeyCVQSWZMJOGOPAV-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.37
Rot. Bonds

About 2,3-dihydrothiochromen-4-one

2,3-dihydrothiochromen-4-one (PubChem CID 19048) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name2,3-dihydrothiochromen-4-one
PubChem CID19048
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name2,3-dihydrothiochromen-4-one
SMILESO=C1CCSc2ccccc21
InChIInChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKeyCVQSWZMJOGOPAV-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79633
Thioxanthone
CID 10295
2,4-Diethylthioxanthone
CID 122825
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CID 248065
1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione
CID 345951
2-Phenyl-4H-1-benzothiopyran-4-one
CID 69914
1-(4-(Methylthio)phenyl)ethan-1-one
CID 74501
Thioxanthen-9-one 10,10-dioxide
CID 220255
Benzenecarbothioic acid, S-phenyl ester
CID 97117
Benzo(b)thiophene-3(2H)-one 1,1-dioxide
CID 70780

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiochromen-4-one?
The IUPAC name of 2,3-dihydrothiochromen-4-one (CID 19048) is 2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 2,3-dihydrothiochromen-4-one?
The canonical SMILES for 2,3-dihydrothiochromen-4-one is O=C1CCSc2ccccc21.
What is the InChIKey of 2,3-dihydrothiochromen-4-one?
The InChIKey is CVQSWZMJOGOPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2.
What are the key properties of 2,3-dihydrothiochromen-4-one?
2,3-dihydrothiochromen-4-one has a molecular weight of 164.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 19048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).