(4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

C13H10Br2O2S — CID 102846009

IUPAC(4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(Br)c(Br)s2)Oc2ccccc21
InChIInChI=1S/C13H10Br2O2S/c14-8-5-12(18-13(8)15)11-6-9(16)7-3-1-2-4-10(7)17-11/h1-5,9,11,16H,6H2/t9-,11?/m0/s1
InChIKeyVIGBKDMMAFNTIB-FTNKSUMCSA-N
MW390.10 g/mol
LogP4.83
Rot. Bonds1

About (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 102846009) has the molecular formula C13H10Br2O2S and a molecular weight of 390.10 g/mol. Its IUPAC name is (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID102846009
Molecular FormulaC13H10Br2O2S
Molecular Weight390.10 g/mol
Exact Mass387.88
IUPAC Name(4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(Br)c(Br)s2)Oc2ccccc21
InChIInChI=1S/C13H10Br2O2S/c14-8-5-12(18-13(8)15)11-6-9(16)7-3-1-2-4-10(7)17-11/h1-5,9,11,16H,6H2/t9-,11?/m0/s1
InChIKeyVIGBKDMMAFNTIB-FTNKSUMCSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 102846009) is (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2cc(Br)c(Br)s2)Oc2ccccc21.
What is the InChIKey of (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is VIGBKDMMAFNTIB-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H10Br2O2S/c14-8-5-12(18-13(8)15)11-6-9(16)7-3-1-2-4-10(7)17-11/h1-5,9,11,16H,6H2/t9-,11?/m0/s1.
What are the key properties of (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 390.10 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 102846009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).