phenylsulfanylbenzene;urea

C13H14N2OS — CID 161199097

IUPACphenylsulfanylbenzene;urea
SMILESNC(N)=O.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.CH4N2O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;(H4,2,3,4)
InChIKeyUUSWSIJWALJYGI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.86
Rot. Bonds2

About phenylsulfanylbenzene;urea

phenylsulfanylbenzene;urea (PubChem CID 161199097) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is phenylsulfanylbenzene;urea.

Molecular Properties

Compound Namephenylsulfanylbenzene;urea
PubChem CID161199097
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Namephenylsulfanylbenzene;urea
SMILESNC(N)=O.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.CH4N2O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;(H4,2,3,4)
InChIKeyUUSWSIJWALJYGI-UHFFFAOYSA-N
XLogP2.86
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
CID 66690055
CID 66690055
2-oxo-2-(4-phenylsulfanylphenyl)acetic acid
CID 59163537
dichlororuthenium;phenylsulfanylbenzene
CID 18541858
methoxymethane;phenylsulfanylbenzene
CID 175087336
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
phenylsulfanylurea
CID 22219022
ethyl 4-phenylsulfanylbenzoate
CID 15573904
2-(4-phenylsulfanylphenyl)propanoic acid
CID 67801946
S-[4-(4-benzoylsulfanylphenyl)sulfanylphenyl] benzenecarbothioate
CID 569413
phenylmercury;urea
CID 70460318
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208

Frequently Asked Questions

What is the IUPAC name of phenylsulfanylbenzene;urea?
The IUPAC name of phenylsulfanylbenzene;urea (CID 161199097) is phenylsulfanylbenzene;urea.
What is the SMILES notation for phenylsulfanylbenzene;urea?
The canonical SMILES for phenylsulfanylbenzene;urea is NC(N)=O.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of phenylsulfanylbenzene;urea?
The InChIKey is UUSWSIJWALJYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.CH4N2O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;(H4,2,3,4).
What are the key properties of phenylsulfanylbenzene;urea?
phenylsulfanylbenzene;urea has a molecular weight of 246.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylbenzene;urea is sourced from PubChem (CID 161199097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).