7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol

C9H10O2S — CID 145171069

IUPAC7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol
SMILESOc1ccc(S)c2c1CCC2O
InChIInChI=1S/C9H10O2S/c10-6-3-4-8(12)9-5(6)1-2-7(9)11/h3-4,7,10-12H,1-2H2
InChIKeyOHKXGYHHFDTXMP-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.66
Rot. Bonds

About 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol

7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol (PubChem CID 145171069) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol.

Molecular Properties

Compound Name7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol
PubChem CID145171069
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol
SMILESOc1ccc(S)c2c1CCC2O
InChIInChI=1S/C9H10O2S/c10-6-3-4-8(12)9-5(6)1-2-7(9)11/h3-4,7,10-12H,1-2H2
InChIKeyOHKXGYHHFDTXMP-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
CID 55278137
(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol
CID 130647724
1-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol
CID 174891227
4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
CID 130114805
(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 67814250
6-amino-5,6,7,8-tetrahydronaphthalene-1,4-diol;hydrobromide
CID 90678179
(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol
CID 156581883
2,3-diphenyl-4-sulfanylphenol
CID 87968184
1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol
CID 23456191
4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 140933699
2-benzhydrylidenecyclobutan-1-ol
CID 46210193
7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol
CID 163979066

Frequently Asked Questions

What is the IUPAC name of 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol?
The IUPAC name of 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol (CID 145171069) is 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol.
What is the SMILES notation for 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol?
The canonical SMILES for 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol is Oc1ccc(S)c2c1CCC2O.
What is the InChIKey of 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol?
The InChIKey is OHKXGYHHFDTXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-6-3-4-8(12)9-5(6)1-2-7(9)11/h3-4,7,10-12H,1-2H2.
What are the key properties of 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol?
7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol has a molecular weight of 182.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol is sourced from PubChem (CID 145171069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).