1-methylsulfanylbenzo[cd]indol-2-one

C12H9NOS — CID 174262540

IUPAC1-methylsulfanylbenzo[cd]indol-2-one
SMILESCSN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C12H9NOS/c1-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7H,1H3
InChIKeyDJBKXEAOWJUCQT-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.08
Rot. Bonds1

About 1-methylsulfanylbenzo[cd]indol-2-one

1-methylsulfanylbenzo[cd]indol-2-one (PubChem CID 174262540) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-methylsulfanylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name1-methylsulfanylbenzo[cd]indol-2-one
PubChem CID174262540
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name1-methylsulfanylbenzo[cd]indol-2-one
SMILESCSN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C12H9NOS/c1-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7H,1H3
InChIKeyDJBKXEAOWJUCQT-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053
1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
CID 28793599
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
2-(2,3,4,5,6-pentamethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 132965970
(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 7473479
ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
1-(4-phenylphenyl)benzo[cd]indol-2-one
CID 629397
2-propoxybenzo[de]isoquinoline-1,3-dione
CID 20686261
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylbenzo[cd]indol-2-one?
The IUPAC name of 1-methylsulfanylbenzo[cd]indol-2-one (CID 174262540) is 1-methylsulfanylbenzo[cd]indol-2-one.
What is the SMILES notation for 1-methylsulfanylbenzo[cd]indol-2-one?
The canonical SMILES for 1-methylsulfanylbenzo[cd]indol-2-one is CSN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-methylsulfanylbenzo[cd]indol-2-one?
The InChIKey is DJBKXEAOWJUCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7H,1H3.
What are the key properties of 1-methylsulfanylbenzo[cd]indol-2-one?
1-methylsulfanylbenzo[cd]indol-2-one has a molecular weight of 215.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylbenzo[cd]indol-2-one is sourced from PubChem (CID 174262540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).