3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol

C10H12N4OS — CID 163593611

IUPAC3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol
SMILESCNC(S)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C10H12N4OS/c1-11-10(16)14-13-8-6-4-2-3-5-7(6)12-9(8)15/h2-5,10-12,15-16H,1H3/b14-13+
InChIKeySMBOMEUXYROKDL-BUHFOSPRSA-N
MW236.30 g/mol
LogP2.39
Rot. Bonds3

About 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol

3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol (PubChem CID 163593611) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol
PubChem CID163593611
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol
SMILESCNC(S)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C10H12N4OS/c1-11-10(16)14-13-8-6-4-2-3-5-7(6)12-9(8)15/h2-5,10-12,15-16H,1H3/b14-13+
InChIKeySMBOMEUXYROKDL-BUHFOSPRSA-N
XLogP2.39
TPSA72.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol (CID 163593611) is 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol is CNC(S)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol?
The InChIKey is SMBOMEUXYROKDL-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-11-10(16)14-13-8-6-4-2-3-5-7(6)12-9(8)15/h2-5,10-12,15-16H,1H3/b14-13+.
What are the key properties of 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol?
3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol has a molecular weight of 236.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methylamino(sulfanyl)methyl]diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 163593611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).