1-(4-methoxy-2-methylphenyl)-3-methylthiourea

C10H14N2OS — CID 972014

IUPAC1-(4-methoxy-2-methylphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc(OC)cc1C
InChIInChI=1S/C10H14N2OS/c1-7-6-8(13-3)4-5-9(7)12-10(14)11-2/h4-6H,1-3H3,(H2,11,12,14)
InChIKeyWKSDLBSGIOTLAS-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.92
Rot. Bonds2

About 1-(4-methoxy-2-methylphenyl)-3-methylthiourea

1-(4-methoxy-2-methylphenyl)-3-methylthiourea (PubChem CID 972014) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-methylthiourea
PubChem CID972014
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc(OC)cc1C
InChIInChI=1S/C10H14N2OS/c1-7-6-8(13-3)4-5-9(7)12-10(14)11-2/h4-6H,1-3H3,(H2,11,12,14)
InChIKeyWKSDLBSGIOTLAS-UHFFFAOYSA-N
XLogP1.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.92
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

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N-(4-Methoxyphenyl)-N'-phenylthiourea
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N-(4-methoxybenzyl)-N'-phenylthiourea
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1-Ethyl-3-[4-(trifluoromethoxy)phenyl]thiourea
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N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
1,3-Bis(4-methoxyphenyl)thiourea
CID 706970
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
[4-[(4-Methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
CID 70692553
1-Benzyl-3-(3-methoxyphenyl)thiourea
CID 698354
3-(4-methoxyphenyl)quinazoline-2,4(1H,3H)-dithione
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1-Benzyl-3-(2-methoxyphenyl)thiourea
CID 797063

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-methylthiourea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-methylthiourea (CID 972014) is 1-(4-methoxy-2-methylphenyl)-3-methylthiourea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-methylthiourea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-methylthiourea is CNC(=S)Nc1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-methylthiourea?
The InChIKey is WKSDLBSGIOTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-6-8(13-3)4-5-9(7)12-10(14)11-2/h4-6H,1-3H3,(H2,11,12,14).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-methylthiourea?
1-(4-methoxy-2-methylphenyl)-3-methylthiourea has a molecular weight of 210.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-methylthiourea is sourced from PubChem (CID 972014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).