(2,3,4-trimethoxyphenyl)thiourea

C10H14N2O3S — CID 18536860

IUPAC(2,3,4-trimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(N)=S)c(OC)c1OC
InChIInChI=1S/C10H14N2O3S/c1-13-7-5-4-6(12-10(11)16)8(14-2)9(7)15-3/h4-5H,1-3H3,(H3,11,12,16)
InChIKeyWRIVFDQBPFDMLN-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.37
Rot. Bonds4

About (2,3,4-trimethoxyphenyl)thiourea

(2,3,4-trimethoxyphenyl)thiourea (PubChem CID 18536860) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2,3,4-trimethoxyphenyl)thiourea.

Molecular Properties

Compound Name(2,3,4-trimethoxyphenyl)thiourea
PubChem CID18536860
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(2,3,4-trimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(N)=S)c(OC)c1OC
InChIInChI=1S/C10H14N2O3S/c1-13-7-5-4-6(12-10(11)16)8(14-2)9(7)15-3/h4-5H,1-3H3,(H3,11,12,16)
InChIKeyWRIVFDQBPFDMLN-UHFFFAOYSA-N
XLogP1.37
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,3,4-trimethoxyphenyl)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

(4-methoxy-2,3-dimethylphenyl)thiourea
CID 169357786
(4-fluoro-2-methoxy-3-methylphenyl)thiourea
CID 169357123
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
(2-methoxy-5-methylsulfonylphenyl)thiourea
CID 87942230
2,3,4-trimethoxyaniline
CID 15455622
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
2-(carbamothioylamino)-3,4,5-trimethoxybenzoic acid
CID 169356258
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trimethoxyphenyl)thiourea?
The IUPAC name of (2,3,4-trimethoxyphenyl)thiourea (CID 18536860) is (2,3,4-trimethoxyphenyl)thiourea.
What is the SMILES notation for (2,3,4-trimethoxyphenyl)thiourea?
The canonical SMILES for (2,3,4-trimethoxyphenyl)thiourea is COc1ccc(NC(N)=S)c(OC)c1OC.
What is the InChIKey of (2,3,4-trimethoxyphenyl)thiourea?
The InChIKey is WRIVFDQBPFDMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-13-7-5-4-6(12-10(11)16)8(14-2)9(7)15-3/h4-5H,1-3H3,(H3,11,12,16).
What are the key properties of (2,3,4-trimethoxyphenyl)thiourea?
(2,3,4-trimethoxyphenyl)thiourea has a molecular weight of 242.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trimethoxyphenyl)thiourea is sourced from PubChem (CID 18536860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).