(2-methoxy-5-methylphenyl)thiourea

C9H12N2OS — CID 736212

IUPAC(2-methoxy-5-methylphenyl)thiourea
SMILESCOc1ccc(C)cc1NC(N)=S
InChIInChI=1S/C9H12N2OS/c1-6-3-4-8(12-2)7(5-6)11-9(10)13/h3-5H,1-2H3,(H3,10,11,13)
InChIKeyIPKUQBKZOAIUOC-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.66
Rot. Bonds2

About (2-methoxy-5-methylphenyl)thiourea

(2-methoxy-5-methylphenyl)thiourea (PubChem CID 736212) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)thiourea.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)thiourea
PubChem CID736212
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name(2-methoxy-5-methylphenyl)thiourea
SMILESCOc1ccc(C)cc1NC(N)=S
InChIInChI=1S/C9H12N2OS/c1-6-3-4-8(12-2)7(5-6)11-9(10)13/h3-5H,1-2H3,(H3,10,11,13)
InChIKeyIPKUQBKZOAIUOC-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-5-Methylaniline
CID 8445
N-(o-Methoxyphenyl)thiourea
CID 722774
4-Thioureidoanisole
CID 667549
Acetamide, N-(2-methoxy-5-methylphenyl)-
CID 81412
N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
2-Ureidoanisole
CID 98753
1-(2-Methoxy-5-methylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273629
1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
CID 751683
1-Benzyl-3-(2-ethoxy-phenyl)-thiourea
CID 698382
1-Benzyl-3-(2-methoxyphenyl)thiourea
CID 797063
N-(2-Ethoxyphenyl)thiourea
CID 2758773
[2-(Trifluoromethoxy)phenyl]thiourea
CID 2732749

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)thiourea?
The IUPAC name of (2-methoxy-5-methylphenyl)thiourea (CID 736212) is (2-methoxy-5-methylphenyl)thiourea.
What is the SMILES notation for (2-methoxy-5-methylphenyl)thiourea?
The canonical SMILES for (2-methoxy-5-methylphenyl)thiourea is COc1ccc(C)cc1NC(N)=S.
What is the InChIKey of (2-methoxy-5-methylphenyl)thiourea?
The InChIKey is IPKUQBKZOAIUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-3-4-8(12-2)7(5-6)11-9(10)13/h3-5H,1-2H3,(H3,10,11,13).
What are the key properties of (2-methoxy-5-methylphenyl)thiourea?
(2-methoxy-5-methylphenyl)thiourea has a molecular weight of 196.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)thiourea is sourced from PubChem (CID 736212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).