3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen

C12H15NOS2 — CID 143926226

IUPAC3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen
SMILESCSC(SC)=C1C(=O)Nc2cc(C)ccc21.[H][H]
InChIInChI=1S/C12H13NOS2.H2/c1-7-4-5-8-9(6-7)13-11(14)10(8)12(15-2)16-3;/h4-6H,1-3H3,(H,13,14);1H
InChIKeyMDDIZUBEPSVCOO-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.59
Rot. Bonds2

About 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen

3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen (PubChem CID 143926226) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen
PubChem CID143926226
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen
SMILESCSC(SC)=C1C(=O)Nc2cc(C)ccc21.[H][H]
InChIInChI=1S/C12H13NOS2.H2/c1-7-4-5-8-9(6-7)13-11(14)10(8)12(15-2)16-3;/h4-6H,1-3H3,(H,13,14);1H
InChIKeyMDDIZUBEPSVCOO-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(methylsulfanyl)methylidene]-5-methoxy-1H-indol-2-one
CID 86173525
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
3-benzylidene-6-methyl-1H-indol-2-one
CID 71248660
5-methylisoindole-1,3-dione;propane
CID 156794481
5-bromo-6-(2,5-dimethylphenyl)sulfanyl-1H-indole-2,3-dione
CID 79343664
3-methyl-6-methylsulfanylphenanthrene-9,10-dione
CID 170677221
(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113196779
ethyl (2E)-2-cyano-2-(5-methyl-2-oxo-1H-indol-3-ylidene)acetate
CID 21159980
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
2-[4-(carboxymethyl)-5-hydroxy-2-methylphenyl]acetic acid;5-methyl-1H-indole-2,3-dione
CID 157361158
3-hydroxy-3,5-dimethyl-2H-isoindol-1-one
CID 155187215
3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide
CID 68531241

Frequently Asked Questions

What is the IUPAC name of 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen?
The IUPAC name of 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen (CID 143926226) is 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen.
What is the SMILES notation for 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen?
The canonical SMILES for 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen is CSC(SC)=C1C(=O)Nc2cc(C)ccc21.[H][H].
What is the InChIKey of 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen?
The InChIKey is MDDIZUBEPSVCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2.H2/c1-7-4-5-8-9(6-7)13-11(14)10(8)12(15-2)16-3;/h4-6H,1-3H3,(H,13,14);1H.
What are the key properties of 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen?
3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen has a molecular weight of 253.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(methylsulfanyl)methylidene]-6-methyl-1H-indol-2-one;molecular hydrogen is sourced from PubChem (CID 143926226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).