6-methoxy-2,3-dihydro-1H-indene-1-thiol

C10H12OS — CID 79374496

IUPAC6-methoxy-2,3-dihydro-1H-indene-1-thiol
SMILESCOc1ccc2c(c1)C(S)CC2
InChIInChI=1S/C10H12OS/c1-11-8-4-2-7-3-5-10(12)9(7)6-8/h2,4,6,10,12H,3,5H2,1H3
InChIKeyOZRXAVCYCZRMKI-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.61
Rot. Bonds1

About 6-methoxy-2,3-dihydro-1H-indene-1-thiol

6-methoxy-2,3-dihydro-1H-indene-1-thiol (PubChem CID 79374496) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydro-1H-indene-1-thiol.

Molecular Properties

Compound Name6-methoxy-2,3-dihydro-1H-indene-1-thiol
PubChem CID79374496
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name6-methoxy-2,3-dihydro-1H-indene-1-thiol
SMILESCOc1ccc2c(c1)C(S)CC2
InChIInChI=1S/C10H12OS/c1-11-8-4-2-7-3-5-10(12)9(7)6-8/h2,4,6,10,12H,3,5H2,1H3
InChIKeyOZRXAVCYCZRMKI-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
CID 102014911
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydro-1H-indene-1-thiol?
The IUPAC name of 6-methoxy-2,3-dihydro-1H-indene-1-thiol (CID 79374496) is 6-methoxy-2,3-dihydro-1H-indene-1-thiol.
What is the SMILES notation for 6-methoxy-2,3-dihydro-1H-indene-1-thiol?
The canonical SMILES for 6-methoxy-2,3-dihydro-1H-indene-1-thiol is COc1ccc2c(c1)C(S)CC2.
What is the InChIKey of 6-methoxy-2,3-dihydro-1H-indene-1-thiol?
The InChIKey is OZRXAVCYCZRMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-11-8-4-2-7-3-5-10(12)9(7)6-8/h2,4,6,10,12H,3,5H2,1H3.
What are the key properties of 6-methoxy-2,3-dihydro-1H-indene-1-thiol?
6-methoxy-2,3-dihydro-1H-indene-1-thiol has a molecular weight of 180.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydro-1H-indene-1-thiol is sourced from PubChem (CID 79374496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).