(3,4,5-trimethoxyphenyl)thiourea

C10H14N2O3S — CID 2760811

IUPAC(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(N)=S)cc(OC)c1OC
InChIInChI=1S/C10H14N2O3S/c1-13-7-4-6(12-10(11)16)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H3,11,12,16)
InChIKeyZHVXETDHOROSGO-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.37
Rot. Bonds4

About (3,4,5-trimethoxyphenyl)thiourea

(3,4,5-trimethoxyphenyl)thiourea (PubChem CID 2760811) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)thiourea.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)thiourea
PubChem CID2760811
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(N)=S)cc(OC)c1OC
InChIInChI=1S/C10H14N2O3S/c1-13-7-4-6(12-10(11)16)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H3,11,12,16)
InChIKeyZHVXETDHOROSGO-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 (3,4,5-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-hydroxy-3-methoxyphenyl)thiourea
CID 57183601
O-benzyl N-(3,4,5-trimethoxyphenyl)carbamothioate
CID 139928461
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17272370
1-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678008
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17312818
dimethyl-[2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]ethyl]azanium
CID 8620475
[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 5398547
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)thiourea?
The IUPAC name of (3,4,5-trimethoxyphenyl)thiourea (CID 2760811) is (3,4,5-trimethoxyphenyl)thiourea.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)thiourea?
The canonical SMILES for (3,4,5-trimethoxyphenyl)thiourea is COc1cc(NC(N)=S)cc(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxyphenyl)thiourea?
The InChIKey is ZHVXETDHOROSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-13-7-4-6(12-10(11)16)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H3,11,12,16).
What are the key properties of (3,4,5-trimethoxyphenyl)thiourea?
(3,4,5-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 (3,4,5-trimethoxyphenyl)thiourea is sourced from PubChem (CID 2760811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).