(2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea

C15H10N4O2S — CID 920093

IUPAC(2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea
SMILESNC(=S)/N=N/c1c(O)[nH]c2ccc3oc4ccccc4c3c12
InChIInChI=1S/C15H10N4O2S/c16-15(22)19-18-13-12-8(17-14(13)20)5-6-10-11(12)7-3-1-2-4-9(7)21-10/h1-6,17,20H,(H2,16,22)/b19-18+
InChIKeyQWVIWNIQWNYGLI-VHEBQXMUSA-N
MW310.34 g/mol
LogP4.10
Rot. Bonds1

About (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea

(2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea (PubChem CID 920093) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea.

Molecular Properties

Compound Name(2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea
PubChem CID920093
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name(2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea
SMILESNC(=S)/N=N/c1c(O)[nH]c2ccc3oc4ccccc4c3c12
InChIInChI=1S/C15H10N4O2S/c16-15(22)19-18-13-12-8(17-14(13)20)5-6-10-11(12)7-3-1-2-4-9(7)21-10/h1-6,17,20H,(H2,16,22)/b19-18+
InChIKeyQWVIWNIQWNYGLI-VHEBQXMUSA-N
XLogP4.10
TPSA99.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 54.10
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea?
The IUPAC name of (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea (CID 920093) is (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea.
What is the SMILES notation for (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea?
The canonical SMILES for (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea is NC(=S)/N=N/c1c(O)[nH]c2ccc3oc4ccccc4c3c12.
What is the InChIKey of (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea?
The InChIKey is QWVIWNIQWNYGLI-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10N4O2S/c16-15(22)19-18-13-12-8(17-14(13)20)5-6-10-11(12)7-3-1-2-4-9(7)21-10/h1-6,17,20H,(H2,16,22)/b19-18+.
What are the key properties of (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea?
(2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea has a molecular weight of 310.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3H-[1]benzofuro[3,2-e]indol-1-yl)iminothiourea is sourced from PubChem (CID 920093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).