1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea

C14H12Cl2N2OS — CID 127577317

IUPAC1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2OS/c1-20-13-4-2-3-11(8-13)17-14(19)18-12-6-9(15)5-10(16)7-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyMOWCBZFYNHEDAO-UHFFFAOYSA-N
MW327.24 g/mol
LogP5.36
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea

1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 127577317) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID127577317
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2OS/c1-20-13-4-2-3-11(8-13)17-14(19)18-12-6-9(15)5-10(16)7-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyMOWCBZFYNHEDAO-UHFFFAOYSA-N
XLogP5.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.24
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087557
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
CID 108889171
3-bromo-5-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 107951382
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-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea (CID 127577317) is 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is MOWCBZFYNHEDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-20-13-4-2-3-11(8-13)17-14(19)18-12-6-9(15)5-10(16)7-12/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea?
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 327.24 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 127577317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).