1-(2-methylsulfanylphenyl)-3-phenylurea

C14H14N2OS — CID 966909

IUPAC1-(2-methylsulfanylphenyl)-3-phenylurea
SMILESCSc1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2OS/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H2,15,16,17)
InChIKeyDZEQJYIKROSGBK-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.05
Rot. Bonds3

About 1-(2-methylsulfanylphenyl)-3-phenylurea

1-(2-methylsulfanylphenyl)-3-phenylurea (PubChem CID 966909) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-phenylurea
PubChem CID966909
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(2-methylsulfanylphenyl)-3-phenylurea
SMILESCSc1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2OS/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H2,15,16,17)
InChIKeyDZEQJYIKROSGBK-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
1-(2-methylsulfanylphenyl)-3-phenylthiourea
CID 17281496
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 43236531
(2S)-3-hydroxy-2-[(2-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 107642413
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
1-heptan-4-yl-3-(2-methylsulfanylphenyl)urea
CID 58607472
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylurea?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylurea (CID 966909) is 1-(2-methylsulfanylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-phenylurea is CSc1ccccc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-phenylurea?
The InChIKey is DZEQJYIKROSGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H2,15,16,17).
What are the key properties of 1-(2-methylsulfanylphenyl)-3-phenylurea?
1-(2-methylsulfanylphenyl)-3-phenylurea has a molecular weight of 258.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-phenylurea is sourced from PubChem (CID 966909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).