methyl 2-hydroxy-1H-indole-3-carbodithioate

C10H9NOS2 — CID 166436525

IUPACmethyl 2-hydroxy-1H-indole-3-carbodithioate
SMILESCSC(=S)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C10H9NOS2/c1-14-10(13)8-6-4-2-3-5-7(6)11-9(8)12/h2-5,11-12H,1H3
InChIKeyLMZPYQBGAZMNKW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.91
Rot. Bonds1

About methyl 2-hydroxy-1H-indole-3-carbodithioate

methyl 2-hydroxy-1H-indole-3-carbodithioate (PubChem CID 166436525) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is methyl 2-hydroxy-1H-indole-3-carbodithioate.

Molecular Properties

Compound Namemethyl 2-hydroxy-1H-indole-3-carbodithioate
PubChem CID166436525
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Namemethyl 2-hydroxy-1H-indole-3-carbodithioate
SMILESCSC(=S)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C10H9NOS2/c1-14-10(13)8-6-4-2-3-5-7(6)11-9(8)12/h2-5,11-12H,1H3
InChIKeyLMZPYQBGAZMNKW-UHFFFAOYSA-N
XLogP2.91
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol
CID 141126258
2-(2-hydroxy-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 44713902
N-(2-hydroxy-1H-indol-3-yl)acetamide
CID 3244306
3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
CID 11959861
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
methyl 2-methylsulfanyl-1H-indole-3-carboxylate
CID 11481434
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
CID 131863122
CID 131863122
9H-carbazole
CID 66668984
2-hydroxy-1H-indole-3-diazonium
CID 555023

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-1H-indole-3-carbodithioate?
The IUPAC name of methyl 2-hydroxy-1H-indole-3-carbodithioate (CID 166436525) is methyl 2-hydroxy-1H-indole-3-carbodithioate.
What is the SMILES notation for methyl 2-hydroxy-1H-indole-3-carbodithioate?
The canonical SMILES for methyl 2-hydroxy-1H-indole-3-carbodithioate is CSC(=S)c1c(O)[nH]c2ccccc12.
What is the InChIKey of methyl 2-hydroxy-1H-indole-3-carbodithioate?
The InChIKey is LMZPYQBGAZMNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-14-10(13)8-6-4-2-3-5-7(6)11-9(8)12/h2-5,11-12H,1H3.
What are the key properties of methyl 2-hydroxy-1H-indole-3-carbodithioate?
methyl 2-hydroxy-1H-indole-3-carbodithioate has a molecular weight of 223.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-1H-indole-3-carbodithioate is sourced from PubChem (CID 166436525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).