(1-ethyl-2-hydroxyindol-3-yl)iminothiourea

C11H12N4OS — CID 953967

IUPAC(1-ethyl-2-hydroxyindol-3-yl)iminothiourea
SMILESCCn1c(O)c(/N=N/C(N)=S)c2ccccc21
InChIInChI=1S/C11H12N4OS/c1-2-15-8-6-4-3-5-7(8)9(10(15)16)13-14-11(12)17/h3-6,16H,2H2,1H3,(H2,12,17)/b14-13+
InChIKeyCOZMCJHGLSYRPQ-BUHFOSPRSA-N
MW248.31 g/mol
LogP2.69
Rot. Bonds2

About (1-ethyl-2-hydroxyindol-3-yl)iminothiourea

(1-ethyl-2-hydroxyindol-3-yl)iminothiourea (PubChem CID 953967) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is (1-ethyl-2-hydroxyindol-3-yl)iminothiourea.

Molecular Properties

Compound Name(1-ethyl-2-hydroxyindol-3-yl)iminothiourea
PubChem CID953967
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name(1-ethyl-2-hydroxyindol-3-yl)iminothiourea
SMILESCCn1c(O)c(/N=N/C(N)=S)c2ccccc21
InChIInChI=1S/C11H12N4OS/c1-2-15-8-6-4-3-5-7(8)9(10(15)16)13-14-11(12)17/h3-6,16H,2H2,1H3,(H2,12,17)/b14-13+
InChIKeyCOZMCJHGLSYRPQ-BUHFOSPRSA-N
XLogP2.69
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (1-ethyl-2-hydroxyindol-3-yl)iminothiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-hydroxyindol-3-yl)iminothiourea?
The IUPAC name of (1-ethyl-2-hydroxyindol-3-yl)iminothiourea (CID 953967) is (1-ethyl-2-hydroxyindol-3-yl)iminothiourea.
What is the SMILES notation for (1-ethyl-2-hydroxyindol-3-yl)iminothiourea?
The canonical SMILES for (1-ethyl-2-hydroxyindol-3-yl)iminothiourea is CCn1c(O)c(/N=N/C(N)=S)c2ccccc21.
What is the InChIKey of (1-ethyl-2-hydroxyindol-3-yl)iminothiourea?
The InChIKey is COZMCJHGLSYRPQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-15-8-6-4-3-5-7(8)9(10(15)16)13-14-11(12)17/h3-6,16H,2H2,1H3,(H2,12,17)/b14-13+.
What are the key properties of (1-ethyl-2-hydroxyindol-3-yl)iminothiourea?
(1-ethyl-2-hydroxyindol-3-yl)iminothiourea has a molecular weight of 248.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-hydroxyindol-3-yl)iminothiourea is sourced from PubChem (CID 953967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).