(4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate

C12H14N2OS2 — CID 155534968

IUPAC(4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate
SMILESCOc1cccc2c1ccn2SC(=S)N(C)C
InChIInChI=1S/C12H14N2OS2/c1-13(2)12(16)17-14-8-7-9-10(14)5-4-6-11(9)15-3/h4-8H,1-3H3
InChIKeyQENABFBNGOFNTL-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.99
Rot. Bonds2

About (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate

(4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate (PubChem CID 155534968) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate
PubChem CID155534968
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name(4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate
SMILESCOc1cccc2c1ccn2SC(=S)N(C)C
InChIInChI=1S/C12H14N2OS2/c1-13(2)12(16)17-14-8-7-9-10(14)5-4-6-11(9)15-3/h4-8H,1-3H3
InChIKeyQENABFBNGOFNTL-UHFFFAOYSA-N
XLogP2.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate?
The IUPAC name of (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate (CID 155534968) is (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate is COc1cccc2c1ccn2SC(=S)N(C)C.
What is the InChIKey of (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate?
The InChIKey is QENABFBNGOFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-13(2)12(16)17-14-8-7-9-10(14)5-4-6-11(9)15-3/h4-8H,1-3H3.
What are the key properties of (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate?
(4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate has a molecular weight of 266.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyindol-1-yl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 155534968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).