(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane

C11H13NOS — CID 123990604

IUPAC(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane
SMILESC=S(C)c1cc2cccc(OC)c2[nH]1
InChIInChI=1S/C11H13NOS/c1-13-9-6-4-5-8-7-10(14(2)3)12-11(8)9/h4-7,12H,2H2,1,3H3
InChIKeyJXWSMAZDDNRBEO-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.87
Rot. Bonds2

About (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane

(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane (PubChem CID 123990604) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane.

Molecular Properties

Compound Name(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane
PubChem CID123990604
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane
SMILESC=S(C)c1cc2cccc(OC)c2[nH]1
InChIInChI=1S/C11H13NOS/c1-13-9-6-4-5-8-7-10(14(2)3)12-11(8)9/h4-7,12H,2H2,1,3H3
InChIKeyJXWSMAZDDNRBEO-UHFFFAOYSA-N
XLogP2.87
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-methoxy-2-methyl-1H-indole
CID 143863749
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
1-(7-methoxy-1H-indol-2-yl)ethane-1,2-diamine
CID 170895159
7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole
CID 165356820
N-ethyl-1-(7-methoxy-1H-indol-2-yl)ethanamine
CID 65332606
8-methoxy-1H-quinazolin-2-one
CID 53438636
2-(4-fluoro-5-methylthiophen-2-yl)-7-methoxy-1H-indole
CID 70855502
7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
7-methoxy-N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 110856846
methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate
CID 170884501
N-[2-(7-methoxy-1H-indol-2-yl)ethyl]acetamide
CID 10704742

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane?
The IUPAC name of (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane (CID 123990604) is (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane.
What is the SMILES notation for (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane?
The canonical SMILES for (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane is C=S(C)c1cc2cccc(OC)c2[nH]1.
What is the InChIKey of (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane?
The InChIKey is JXWSMAZDDNRBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-13-9-6-4-5-8-7-10(14(2)3)12-11(8)9/h4-7,12H,2H2,1,3H3.
What are the key properties of (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane?
(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane has a molecular weight of 207.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane is sourced from PubChem (CID 123990604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).