1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea

C14H12Cl2N2OS — CID 972109

IUPAC1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-20-12-8-3-2-6-10(12)17-14(19)18-11-7-4-5-9(15)13(11)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyIXBTWTPJRRXGFV-UHFFFAOYSA-N
MW327.24 g/mol
LogP5.36
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea

1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 972109) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID972109
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-20-12-8-3-2-6-10(12)17-14(19)18-11-7-4-5-9(15)13(11)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyIXBTWTPJRRXGFV-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

Carbanilide, 2,3',4'-trichloro-
CID 25784
1-(2,3-Dichlorophenyl)-3-phenylurea
CID 751010
N-(3,4-dichlorophenyl)-N'-{4-[(trifluoromethyl)thio]phenyl}urea
CID 2054263
1-(5-tert-Butyl-thiophen-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 44305055
1,3-Bis(2,3-dichlorophenyl)urea
CID 595310
N-(4-chlorophenyl)-N'-[3-(methylthio)phenyl]urea
CID 303365
N-(3-chloro-4-fluorophenyl)-N'-[2-(methylthio)phenyl]urea
CID 978234
1-(3-Chlorophenyl)-3-(2-methylsulfanylphenyl)urea
CID 2226935
N-(4-chlorophenyl)-N'-[2-(methylthio)phenyl]urea
CID 2243648
1-(3-Chloro-2-methylphenyl)-3-(2-methylsulfanylphenyl)urea
CID 1298428
1-(2-Chlorophenyl)-3-(2-methylsulfanylphenyl)urea
CID 6468314
Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide
CID 208262

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea (CID 972109) is 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is IXBTWTPJRRXGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-20-12-8-3-2-6-10(12)17-14(19)18-11-7-4-5-9(15)13(11)16/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea?
1-(2,3-dichlorophenyl)-3-(2-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-(2,3-dichlorophenyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 972109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).