(2-hydroxy-1H-indol-3-yl)iminothiourea

C9H8N4OS — CID 690109

IUPAC(2-hydroxy-1H-indol-3-yl)iminothiourea
SMILESNC(=S)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4,11,14H,(H2,10,15)/b13-12+
InChIKeyPEYNLAQGUNUQLY-OUKQBFOZSA-N
MW220.26 g/mol
LogP2.20
Rot. Bonds1

About (2-hydroxy-1H-indol-3-yl)iminothiourea

(2-hydroxy-1H-indol-3-yl)iminothiourea (PubChem CID 690109) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is (2-hydroxy-1H-indol-3-yl)iminothiourea.

Molecular Properties

Compound Name(2-hydroxy-1H-indol-3-yl)iminothiourea
PubChem CID690109
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name(2-hydroxy-1H-indol-3-yl)iminothiourea
SMILESNC(=S)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4,11,14H,(H2,10,15)/b13-12+
InChIKeyPEYNLAQGUNUQLY-OUKQBFOZSA-N
XLogP2.20
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(5-fluoro-2-hydroxy-1H-indol-3-yl)iminothiourea
CID 715039
1,3-bis[(2-hydroxy-1H-indol-3-yl)imino]thiourea;oxolane
CID 139083842
(2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea
CID 920093
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
1-(2,3-dimethylphenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
CID 4311007
N-hydroxy-4-[(2-hydroxy-1H-indol-3-yl)iminocarbamothioylamino]benzeneamine oxide
CID 135801219
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
CID 137274442
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 135816103

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1H-indol-3-yl)iminothiourea?
The IUPAC name of (2-hydroxy-1H-indol-3-yl)iminothiourea (CID 690109) is (2-hydroxy-1H-indol-3-yl)iminothiourea.
What is the SMILES notation for (2-hydroxy-1H-indol-3-yl)iminothiourea?
The canonical SMILES for (2-hydroxy-1H-indol-3-yl)iminothiourea is NC(=S)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of (2-hydroxy-1H-indol-3-yl)iminothiourea?
The InChIKey is PEYNLAQGUNUQLY-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4,11,14H,(H2,10,15)/b13-12+.
What are the key properties of (2-hydroxy-1H-indol-3-yl)iminothiourea?
(2-hydroxy-1H-indol-3-yl)iminothiourea has a molecular weight of 220.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1H-indol-3-yl)iminothiourea is sourced from PubChem (CID 690109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).