(6-hydroxynaphthalen-1-yl)thiourea

C11H10N2OS — CID 28689410

IUPAC(6-hydroxynaphthalen-1-yl)thiourea
SMILESNC(=S)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C11H10N2OS/c12-11(15)13-10-3-1-2-7-6-8(14)4-5-9(7)10/h1-6,14H,(H3,12,13,15)
InChIKeyQAFODZSCZIVWOH-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.20
Rot. Bonds1

About (6-hydroxynaphthalen-1-yl)thiourea

(6-hydroxynaphthalen-1-yl)thiourea (PubChem CID 28689410) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (6-hydroxynaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name(6-hydroxynaphthalen-1-yl)thiourea
PubChem CID28689410
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(6-hydroxynaphthalen-1-yl)thiourea
SMILESNC(=S)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C11H10N2OS/c12-11(15)13-10-3-1-2-7-6-8(14)4-5-9(7)10/h1-6,14H,(H3,12,13,15)
InChIKeyQAFODZSCZIVWOH-UHFFFAOYSA-N
XLogP2.20
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (6-hydroxynaphthalen-1-yl)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
5-(methylamino)naphthalen-2-ol
CID 74890550
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
CID 2223320
N-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 170421531
isoquinolin-5-ylthiourea
CID 1480924
(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 6152566
5-bromo-2-chloro-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
CID 4995634
dimethyl (E)-2-[(6-hydroxynaphthalen-1-yl)amino]but-2-enedioate
CID 168566197
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 2229345
5-(4-chlorophenyl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 4262761

Frequently Asked Questions

What is the IUPAC name of (6-hydroxynaphthalen-1-yl)thiourea?
The IUPAC name of (6-hydroxynaphthalen-1-yl)thiourea (CID 28689410) is (6-hydroxynaphthalen-1-yl)thiourea.
What is the SMILES notation for (6-hydroxynaphthalen-1-yl)thiourea?
The canonical SMILES for (6-hydroxynaphthalen-1-yl)thiourea is NC(=S)Nc1cccc2cc(O)ccc12.
What is the InChIKey of (6-hydroxynaphthalen-1-yl)thiourea?
The InChIKey is QAFODZSCZIVWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-11(15)13-10-3-1-2-7-6-8(14)4-5-9(7)10/h1-6,14H,(H3,12,13,15).
What are the key properties of (6-hydroxynaphthalen-1-yl)thiourea?
(6-hydroxynaphthalen-1-yl)thiourea has a molecular weight of 218.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxynaphthalen-1-yl)thiourea is sourced from PubChem (CID 28689410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).