1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea

C10H12F2N2O2S — CID 47237325

IUPAC1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C10H12F2N2O2S/c11-9(12)17-8-3-1-7(2-4-8)14-10(16)13-5-6-15/h1-4,9,15H,5-6H2,(H2,13,14,16)
InChIKeyJSGAGDWAIDCJPI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.12
Rot. Bonds5

About 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea

1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 47237325) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea
PubChem CID47237325
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C10H12F2N2O2S/c11-9(12)17-8-3-1-7(2-4-8)14-10(16)13-5-6-15/h1-4,9,15H,5-6H2,(H2,13,14,16)
InChIKeyJSGAGDWAIDCJPI-UHFFFAOYSA-N
XLogP2.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea (CID 47237325) is 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is JSGAGDWAIDCJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c11-9(12)17-8-3-1-7(2-4-8)14-10(16)13-5-6-15/h1-4,9,15H,5-6H2,(H2,13,14,16).
What are the key properties of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea?
1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 262.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 47237325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).