(2-cyano-4-hydroxyphenyl)thiourea

C8H7N3OS — CID 91875423

IUPAC(2-cyano-4-hydroxyphenyl)thiourea
SMILESN#Cc1cc(O)ccc1NC(N)=S
InChIInChI=1S/C8H7N3OS/c9-4-5-3-6(12)1-2-7(5)11-8(10)13/h1-3,12H,(H3,10,11,13)
InChIKeyOCLMXCWNROULOS-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.92
Rot. Bonds1

About (2-cyano-4-hydroxyphenyl)thiourea

(2-cyano-4-hydroxyphenyl)thiourea (PubChem CID 91875423) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is (2-cyano-4-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name(2-cyano-4-hydroxyphenyl)thiourea
PubChem CID91875423
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name(2-cyano-4-hydroxyphenyl)thiourea
SMILESN#Cc1cc(O)ccc1NC(N)=S
InChIInChI=1S/C8H7N3OS/c9-4-5-3-6(12)1-2-7(5)11-8(10)13/h1-3,12H,(H3,10,11,13)
InChIKeyOCLMXCWNROULOS-UHFFFAOYSA-N
XLogP0.92
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-cyano-4-hydroxyphenyl)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

(2-cyano-4-iodophenyl)thiourea
CID 91875522
(6-hydroxynaphthalen-1-yl)thiourea
CID 28689410
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
2,4-dihydroxybenzonitrile
CID 3017520
2-fluoro-5-hydroxybenzonitrile;hydrochloride
CID 145086137
4-(carbamothioylamino)-2-cyanobenzoic acid
CID 91875432
[2-(3-cyanoprop-1-ynyl)phenyl]thiourea
CID 170475148
5-(carbamothioylamino)-2-cyanobenzoic acid
CID 91875525
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide
CID 10786490
2-(carbamothioylamino)-5-(4-hydroxyphenyl)benzenesulfonic acid
CID 169358783

Frequently Asked Questions

What is the IUPAC name of (2-cyano-4-hydroxyphenyl)thiourea?
The IUPAC name of (2-cyano-4-hydroxyphenyl)thiourea (CID 91875423) is (2-cyano-4-hydroxyphenyl)thiourea.
What is the SMILES notation for (2-cyano-4-hydroxyphenyl)thiourea?
The canonical SMILES for (2-cyano-4-hydroxyphenyl)thiourea is N#Cc1cc(O)ccc1NC(N)=S.
What is the InChIKey of (2-cyano-4-hydroxyphenyl)thiourea?
The InChIKey is OCLMXCWNROULOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-4-5-3-6(12)1-2-7(5)11-8(10)13/h1-3,12H,(H3,10,11,13).
What are the key properties of (2-cyano-4-hydroxyphenyl)thiourea?
(2-cyano-4-hydroxyphenyl)thiourea has a molecular weight of 193.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-4-hydroxyphenyl)thiourea is sourced from PubChem (CID 91875423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).