(3-methylsulfanylphenyl)urea

C8H10N2OS — CID 2731248

IUPAC(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(N)=O)c1
InChIInChI=1S/C8H10N2OS/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyCPMWTHYDRMILTO-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.90
Rot. Bonds2

About (3-methylsulfanylphenyl)urea

(3-methylsulfanylphenyl)urea (PubChem CID 2731248) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is (3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name(3-methylsulfanylphenyl)urea
PubChem CID2731248
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(N)=O)c1
InChIInChI=1S/C8H10N2OS/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyCPMWTHYDRMILTO-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylphenyl)urea?
The IUPAC name of (3-methylsulfanylphenyl)urea (CID 2731248) is (3-methylsulfanylphenyl)urea.
What is the SMILES notation for (3-methylsulfanylphenyl)urea?
The canonical SMILES for (3-methylsulfanylphenyl)urea is CSc1cccc(NC(N)=O)c1.
What is the InChIKey of (3-methylsulfanylphenyl)urea?
The InChIKey is CPMWTHYDRMILTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11).
What are the key properties of (3-methylsulfanylphenyl)urea?
(3-methylsulfanylphenyl)urea has a molecular weight of 182.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylphenyl)urea is sourced from PubChem (CID 2731248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).