(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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Related Compounds

(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
(5-fluoro-2-hydroxy-1H-indol-3-yl)iminothiourea
CID 715039
12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene
CID 142744192
N-[(2-hydroxy-1H-[1]benzofuro[3,2-f]indol-3-yl)imino]pyridin-1-ium-1-carboxamide;hydrochloride
CID 137221781
1,3-bis[(2-hydroxy-1H-indol-3-yl)imino]thiourea;oxolane
CID 139083842
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
CID 132526373
[[10-(carbamothioyldiazenyl)-1,4-dihydroxyanthracen-9-yl]amino]thiourea
CID 136911054
S-(1,3-benzoxazol-2-yl) N-[(2-hydroxy-1H-indol-3-yl)imino]carbamothioate
CID 135619775
2-fluorodibenzofuran-1-ol
CID 156783586
(2-butyl-1-hydroxy-3-oxoisoquinolin-4-yl)iminothiourea
CID 135692456
dibenzofuran-1,2-diamine
CID 21425844

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).