1-(3-methylsulfanylphenyl)-3-phenylurea

C14H14N2OS — CID 892929

IUPAC1-(3-methylsulfanylphenyl)-3-phenylurea
SMILESCSc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c1-18-13-9-5-8-12(10-13)16-14(17)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,15,16,17)
InChIKeyKGKAWEGBSNFGMT-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.05
Rot. Bonds3

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

1-(3-methylsulfanylphenyl)-3-phenylurea (PubChem CID 892929) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)-3-phenylurea
PubChem CID892929
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(3-methylsulfanylphenyl)-3-phenylurea
SMILESCSc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c1-18-13-9-5-8-12(10-13)16-14(17)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,15,16,17)
InChIKeyKGKAWEGBSNFGMT-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

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3-(3-Phenyl-ureido)-benzenesulfonamide
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Amidapsone
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N-[3-(methylsulfanyl)phenyl]propanamide
CID 837887
1-(4-(Methylsulfonyl)phenyl)-3-phenylurea
CID 44447099
3-(Methylthio)phenylurea
CID 2731248
Thiourea, N-(3-(methylthio)phenyl)-
CID 2731100
2-methyl-N-[3-(methylsulfanyl)phenyl]propanamide
CID 837891
1,3-Bis[4-(trifluoromethylsulfanyl)phenyl]urea
CID 2732871
1-(4-Fluorophenyl)-3-(3-sulfamoylphenyl)urea
CID 38154971
1-(4-Iodophenyl)-3-(3-sulfamoylphenyl)urea
CID 38155699
N-(4-fluorophenyl)-N'-[3-(methylthio)phenyl]thiourea
CID 2731254

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)-3-phenylurea?
The IUPAC name of 1-(3-methylsulfanylphenyl)-3-phenylurea (CID 892929) is 1-(3-methylsulfanylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)-3-phenylurea?
The canonical SMILES for 1-(3-methylsulfanylphenyl)-3-phenylurea is CSc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)-3-phenylurea?
The InChIKey is KGKAWEGBSNFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-18-13-9-5-8-12(10-13)16-14(17)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,15,16,17).
What are the key properties of 1-(3-methylsulfanylphenyl)-3-phenylurea?
1-(3-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-(3-methylsulfanylphenyl)-3-phenylurea is sourced from PubChem (CID 892929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).