(4-methoxyphenyl)thiourea

C8H10N2OS — CID 667549

IUPAC(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(N)=S)cc1
InChIInChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
InChIKeySRYLJBWDZZMDSK-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.35
Rot. Bonds2

About (4-methoxyphenyl)thiourea

(4-methoxyphenyl)thiourea (PubChem CID 667549) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is (4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name(4-methoxyphenyl)thiourea
PubChem CID667549
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(N)=S)cc1
InChIInChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
InChIKeySRYLJBWDZZMDSK-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'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)thiourea?
The IUPAC name of (4-methoxyphenyl)thiourea (CID 667549) is (4-methoxyphenyl)thiourea.
What is the SMILES notation for (4-methoxyphenyl)thiourea?
The canonical SMILES for (4-methoxyphenyl)thiourea is COc1ccc(NC(N)=S)cc1.
What is the InChIKey of (4-methoxyphenyl)thiourea?
The InChIKey is SRYLJBWDZZMDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12).
What are the key properties of (4-methoxyphenyl)thiourea?
(4-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 (4-methoxyphenyl)thiourea is sourced from PubChem (CID 667549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).