(3S)-3-methyl-2,3-dihydrothiochromen-4-one

C10H10OS — CID 51656328

IUPAC(3S)-3-methyl-2,3-dihydrothiochromen-4-one
SMILESC[C@@H]1CSc2ccccc2C1=O
InChIInChI=1S/C10H10OS/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyXCJJYQRFPYKZAU-SSDOTTSWSA-N
MW178.26 g/mol
LogP2.61
Rot. Bonds

About (3S)-3-methyl-2,3-dihydrothiochromen-4-one

(3S)-3-methyl-2,3-dihydrothiochromen-4-one (PubChem CID 51656328) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is (3S)-3-methyl-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name(3S)-3-methyl-2,3-dihydrothiochromen-4-one
PubChem CID51656328
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name(3S)-3-methyl-2,3-dihydrothiochromen-4-one
SMILESC[C@@H]1CSc2ccccc2C1=O
InChIInChI=1S/C10H10OS/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyXCJJYQRFPYKZAU-SSDOTTSWSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2,3-dihydrothiochromen-4-one?
The IUPAC name of (3S)-3-methyl-2,3-dihydrothiochromen-4-one (CID 51656328) is (3S)-3-methyl-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for (3S)-3-methyl-2,3-dihydrothiochromen-4-one?
The canonical SMILES for (3S)-3-methyl-2,3-dihydrothiochromen-4-one is C[C@@H]1CSc2ccccc2C1=O.
What is the InChIKey of (3S)-3-methyl-2,3-dihydrothiochromen-4-one?
The InChIKey is XCJJYQRFPYKZAU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10OS/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-3-methyl-2,3-dihydrothiochromen-4-one?
(3S)-3-methyl-2,3-dihydrothiochromen-4-one has a molecular weight of 178.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 51656328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).