(3-methoxyphenyl)thiourea

C8H10N2OS — CID 696326

IUPAC(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(N)=S)c1
InChIInChI=1S/C8H10N2OS/c1-11-7-4-2-3-6(5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
InChIKeyYGMXDSWMRIXNTI-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.35
Rot. Bonds2

About (3-methoxyphenyl)thiourea

(3-methoxyphenyl)thiourea (PubChem CID 696326) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is (3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name(3-methoxyphenyl)thiourea
PubChem CID696326
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(N)=S)c1
InChIInChI=1S/C8H10N2OS/c1-11-7-4-2-3-6(5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
InChIKeyYGMXDSWMRIXNTI-UHFFFAOYSA-N
XLogP1.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methoxyphenyl)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-Methoxy-2-mercaptobenzimidazole
CID 665603
N-(o-Methoxyphenyl)thiourea
CID 722774
N-(4-Methoxyphenyl)-N'-phenylthiourea
CID 686507
1-(2,5-Dimethoxyphenyl)-3-phenyl-2-thiourea
CID 730557
4-Thioureidoanisole
CID 667549
N-(3-Hydroxyphenyl)-N'-phenylthiourea
CID 853760
Acetamide, N-(3-methoxyphenyl)-
CID 11494
5-Ethoxy-2-mercaptobenzimidazole
CID 790793
p-Methoxyphenylurea
CID 74066
3-Ureidoanisole
CID 101483
1,3-Bis(4-methoxyphenyl)thiourea
CID 706970
1-(4-(Trifluoromethoxy)phenyl)-2-thiourea
CID 2777352

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)thiourea?
The IUPAC name of (3-methoxyphenyl)thiourea (CID 696326) is (3-methoxyphenyl)thiourea.
What is the SMILES notation for (3-methoxyphenyl)thiourea?
The canonical SMILES for (3-methoxyphenyl)thiourea is COc1cccc(NC(N)=S)c1.
What is the InChIKey of (3-methoxyphenyl)thiourea?
The InChIKey is YGMXDSWMRIXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-11-7-4-2-3-6(5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12).
What are the key properties of (3-methoxyphenyl)thiourea?
(3-methoxyphenyl)thiourea has a molecular weight of 182.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)thiourea is sourced from PubChem (CID 696326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).