1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea

C12H12N2OS2 — CID 108889171

IUPAC1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
SMILESCSc1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C12H12N2OS2/c1-16-10-5-2-4-9(8-10)13-12(15)14-11-6-3-7-17-11/h2-8H,1H3,(H2,13,14,15)
InChIKeyPRBOZNOMOUTQHD-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.11
Rot. Bonds3

About 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea

1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea (PubChem CID 108889171) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
PubChem CID108889171
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
SMILESCSc1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C12H12N2OS2/c1-16-10-5-2-4-9(8-10)13-12(15)14-11-6-3-7-17-11/h2-8H,1H3,(H2,13,14,15)
InChIKeyPRBOZNOMOUTQHD-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-thiophen-2-ylurea
CID 108889157
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031902
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839629
1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
CID 46891619
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615674

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea (CID 108889171) is 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea is CSc1cccc(NC(=O)Nc2cccs2)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea?
The InChIKey is PRBOZNOMOUTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-16-10-5-2-4-9(8-10)13-12(15)14-11-6-3-7-17-11/h2-8H,1H3,(H2,13,14,15).
What are the key properties of 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea?
1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea has a molecular weight of 264.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 108889171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).