1-methyl-2,3-dihydro-1H-indene-5-thiol

C10H12S — CID 176565119

IUPAC1-methyl-2,3-dihydro-1H-indene-5-thiol
SMILESCC1CCc2cc(S)ccc21
InChIInChI=1S/C10H12S/c1-7-2-3-8-6-9(11)4-5-10(7)8/h4-7,11H,2-3H2,1H3
InChIKeyZZXDXPRZNQCKFZ-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.03
Rot. Bonds

About 1-methyl-2,3-dihydro-1H-indene-5-thiol

1-methyl-2,3-dihydro-1H-indene-5-thiol (PubChem CID 176565119) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-methyl-2,3-dihydro-1H-indene-5-thiol.

Molecular Properties

Compound Name1-methyl-2,3-dihydro-1H-indene-5-thiol
PubChem CID176565119
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name1-methyl-2,3-dihydro-1H-indene-5-thiol
SMILESCC1CCc2cc(S)ccc21
InChIInChI=1S/C10H12S/c1-7-2-3-8-6-9(11)4-5-10(7)8/h4-7,11H,2-3H2,1H3
InChIKeyZZXDXPRZNQCKFZ-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 70321993
4-(1-methyl-2,3-dihydro-1H-inden-5-yl)piperidine
CID 58663062
N,1-dimethyl-2,3-dihydro-1H-indene-5-carboxamide
CID 58663133
4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 142288787
2-bromo-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167601855
methane;1,5,6-trimethyl-2,3-dihydro-1H-indene;2,5,6-trimethyl-2,3-dihydro-1H-indene
CID 161247777
ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 170960546
1,6-dimethyl-2,3-dihydro-1H-inden-5-ol
CID 71371609
2-propan-2-yl-3,4-dihydro-2H-chromene-6-thiol
CID 20765951
5-[(2-ethyl-4-methylphenyl)methyl]-1-methyl-2,3-dihydro-1H-indene
CID 58929232
3-chloro-9-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 86197835
3-methyl-1,2,3,9-tetrahydrocyclopenta[b]fluorene
CID 123494676

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydro-1H-indene-5-thiol?
The IUPAC name of 1-methyl-2,3-dihydro-1H-indene-5-thiol (CID 176565119) is 1-methyl-2,3-dihydro-1H-indene-5-thiol.
What is the SMILES notation for 1-methyl-2,3-dihydro-1H-indene-5-thiol?
The canonical SMILES for 1-methyl-2,3-dihydro-1H-indene-5-thiol is CC1CCc2cc(S)ccc21.
What is the InChIKey of 1-methyl-2,3-dihydro-1H-indene-5-thiol?
The InChIKey is ZZXDXPRZNQCKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-7-2-3-8-6-9(11)4-5-10(7)8/h4-7,11H,2-3H2,1H3.
What are the key properties of 1-methyl-2,3-dihydro-1H-indene-5-thiol?
1-methyl-2,3-dihydro-1H-indene-5-thiol has a molecular weight of 164.27 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydro-1H-indene-5-thiol is sourced from PubChem (CID 176565119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).