(3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol

C10H10O3S2 — CID 124630526

IUPAC(3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol
SMILESO=S1(=O)C=C(Sc2ccccc2)[C@H](O)C1
InChIInChI=1S/C10H10O3S2/c11-9-6-15(12,13)7-10(9)14-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m1/s1
InChIKeyKNAPBKQJWBDGBO-SECBINFHSA-N
MW242.32 g/mol
LogP1.41
Rot. Bonds2

About (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol

(3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol (PubChem CID 124630526) has the molecular formula C10H10O3S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name(3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol
PubChem CID124630526
Molecular FormulaC10H10O3S2
Molecular Weight242.32 g/mol
Exact Mass242.01
IUPAC Name(3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol
SMILESO=S1(=O)C=C(Sc2ccccc2)[C@H](O)C1
InChIInChI=1S/C10H10O3S2/c11-9-6-15(12,13)7-10(9)14-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m1/s1
InChIKeyKNAPBKQJWBDGBO-SECBINFHSA-N
XLogP1.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
CID 13380169
phenylsulfanylbenzene;urea
CID 161199097
(1R,6S)-1,6-dideuterio-3-phenylsulfanyltricyclo[3.1.0.02,6]hex-3-ene
CID 10726295
CID 66690055
CID 66690055
(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane
CID 11011979
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
(1S,5S,8R,9S)-5,8,9-trihydroxy-1,3-bis(phenylsulfanyl)bicyclo[3.3.1]non-3-en-2-one
CID 50911044
4-cyclopentyl-1-(4-phenylsulfanylphenyl)butane-1,2-dione
CID 175975963
(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59021705
(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol
CID 131843099
(1S,2R,3S,7R,8S,9R,10R,14R)-15-phenylsulfanyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 23265151
(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene
CID 24977178

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol?
The IUPAC name of (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol (CID 124630526) is (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol.
What is the SMILES notation for (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol?
The canonical SMILES for (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol is O=S1(=O)C=C(Sc2ccccc2)[C@H](O)C1.
What is the InChIKey of (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol?
The InChIKey is KNAPBKQJWBDGBO-SECBINFHSA-N. The full InChI is InChI=1S/C10H10O3S2/c11-9-6-15(12,13)7-10(9)14-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m1/s1.
What are the key properties of (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol?
(3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol has a molecular weight of 242.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxo-4-phenylsulfanyl-2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 124630526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).