(3-methylindol-1-yl) N,N-dimethylcarbamodithioate

C12H14N2S2 — CID 155563584

IUPAC(3-methylindol-1-yl) N,N-dimethylcarbamodithioate
SMILESCc1cn(SC(=S)N(C)C)c2ccccc12
InChIInChI=1S/C12H14N2S2/c1-9-8-14(16-12(15)13(2)3)11-7-5-4-6-10(9)11/h4-8H,1-3H3
InChIKeyWZMVGXNNWLKVMB-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.29
Rot. Bonds1

About (3-methylindol-1-yl) N,N-dimethylcarbamodithioate

(3-methylindol-1-yl) N,N-dimethylcarbamodithioate (PubChem CID 155563584) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is (3-methylindol-1-yl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(3-methylindol-1-yl) N,N-dimethylcarbamodithioate
PubChem CID155563584
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name(3-methylindol-1-yl) N,N-dimethylcarbamodithioate
SMILESCc1cn(SC(=S)N(C)C)c2ccccc12
InChIInChI=1S/C12H14N2S2/c1-9-8-14(16-12(15)13(2)3)11-7-5-4-6-10(9)11/h4-8H,1-3H3
InChIKeyWZMVGXNNWLKVMB-UHFFFAOYSA-N
XLogP3.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3-methylindol-1-yl) N,N-dimethylcarbamodithioate?
The IUPAC name of (3-methylindol-1-yl) N,N-dimethylcarbamodithioate (CID 155563584) is (3-methylindol-1-yl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (3-methylindol-1-yl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (3-methylindol-1-yl) N,N-dimethylcarbamodithioate is Cc1cn(SC(=S)N(C)C)c2ccccc12.
What is the InChIKey of (3-methylindol-1-yl) N,N-dimethylcarbamodithioate?
The InChIKey is WZMVGXNNWLKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-9-8-14(16-12(15)13(2)3)11-7-5-4-6-10(9)11/h4-8H,1-3H3.
What are the key properties of (3-methylindol-1-yl) N,N-dimethylcarbamodithioate?
(3-methylindol-1-yl) N,N-dimethylcarbamodithioate has a molecular weight of 250.39 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylindol-1-yl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 155563584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).